USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 840 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 122 GLN : amide:sc= 1.81 K(o=3,f=-3.8) USER MOD Set 1.2: A 123 TYR OH : rot 72:sc= 1.21 USER MOD Set 2.1: A 102 LYS NZ :NH3+ -163:sc= 0.0124 (180deg=-0.309) USER MOD Set 2.2: A 104 TYR OH : rot 180:sc= 0.0548 USER MOD Set 3.1: A 46 TYR OH : rot -124:sc= 1.24 USER MOD Set 3.2: A 48 CYS SG : rot 180:sc= 0.995 USER MOD Set 4.1: A 21 ASN : amide:sc= 0.338 K(o=0.7,f=-0.059) USER MOD Set 4.2: A 25 TYR OH : rot 137:sc= 0.363 USER MOD Single : A 17 LYS NZ :NH3+ 136:sc= 0.65 (180deg=0.0145) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 44:sc= 0.113 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 43:sc= 0.0713 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 80:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 CYS SG : rot -45:sc= -4.59! USER MOD Single : A 65 THR OG1 : rot 59:sc= 1.15 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.67 F(o=-1.9,f=-0.67) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 133:sc= 0.835 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= 0.343 X(o=0.34,f=-0.018) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 112 SER OG : rot 47:sc= 1.17 USER MOD Single : A 115 GLN :FLIP amide:sc= -0.648 F(o=-2.7,f=-0.65) USER MOD Single : A 117 ASN : amide:sc= -0.871 X(o=-0.87,f=-1) USER MOD ----------------------------------------------------------------- ATOM 62 N GLY A 11 -11.370 7.214 -1.680 1.00 0.00 N ATOM 63 CA GLY A 11 -11.602 5.841 -2.134 1.00 0.00 C ATOM 64 C GLY A 11 -10.371 5.313 -2.842 1.00 0.00 C ATOM 65 O GLY A 11 -10.442 4.433 -3.697 1.00 0.00 O ATOM 0 HA2 GLY A 11 -11.843 5.204 -1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -12.459 5.812 -2.807 1.00 0.00 H new ATOM 69 N LEU A 12 -9.190 5.882 -2.479 1.00 0.00 N ATOM 70 CA LEU A 12 -7.816 5.638 -2.927 1.00 0.00 C ATOM 71 C LEU A 12 -7.218 4.407 -2.193 1.00 0.00 C ATOM 72 O LEU A 12 -7.827 3.793 -1.313 1.00 0.00 O ATOM 73 CB LEU A 12 -7.039 7.001 -3.082 1.00 0.00 C ATOM 74 CG LEU A 12 -5.513 7.092 -3.346 1.00 0.00 C ATOM 75 CD1 LEU A 12 -4.927 8.494 -3.642 1.00 0.00 C ATOM 76 CD2 LEU A 12 -4.951 6.669 -2.053 1.00 0.00 C ATOM 0 H LEU A 12 -9.195 6.617 -1.772 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.726 5.279 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.524 7.540 -3.896 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.227 7.567 -2.169 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.281 6.510 -4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.853 8.412 -3.807 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.401 8.906 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.115 9.153 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.862 6.689 -2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.289 7.347 -1.270 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.285 5.657 -1.825 1.00 0.00 H new ATOM 88 N ARG A 13 -6.051 3.925 -2.671 1.00 0.00 N ATOM 89 CA ARG A 13 -5.436 2.610 -2.438 1.00 0.00 C ATOM 90 C ARG A 13 -4.426 2.689 -1.318 1.00 0.00 C ATOM 91 O ARG A 13 -3.741 3.689 -1.199 1.00 0.00 O ATOM 92 CB ARG A 13 -4.805 2.076 -3.755 1.00 0.00 C ATOM 93 CG ARG A 13 -5.731 2.079 -5.002 1.00 0.00 C ATOM 94 CD ARG A 13 -6.931 1.103 -4.972 1.00 0.00 C ATOM 95 NE ARG A 13 -8.009 1.639 -4.065 1.00 0.00 N ATOM 96 CZ ARG A 13 -9.063 0.904 -3.590 1.00 0.00 C ATOM 97 NH1 ARG A 13 -9.260 -0.384 -3.985 1.00 0.00 N ATOM 98 NH2 ARG A 13 -9.933 1.476 -2.705 1.00 0.00 N ATOM 0 H ARG A 13 -5.469 4.499 -3.281 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.205 1.903 -2.129 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.922 2.674 -3.981 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.463 1.055 -3.583 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.116 3.089 -5.139 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.125 1.848 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.326 0.968 -5.979 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.605 0.123 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.950 2.618 -3.785 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.617 -0.819 -4.646 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.051 -0.914 -3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.794 2.441 -2.405 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -10.721 0.938 -2.345 1.00 0.00 H new ATOM 112 N VAL A 14 -4.338 1.714 -0.382 1.00 0.00 N ATOM 113 CA VAL A 14 -3.650 1.991 0.892 1.00 0.00 C ATOM 114 C VAL A 14 -2.607 0.989 1.350 1.00 0.00 C ATOM 115 O VAL A 14 -2.502 -0.153 0.909 1.00 0.00 O ATOM 116 CB VAL A 14 -4.773 2.261 1.911 1.00 0.00 C ATOM 117 CG1 VAL A 14 -4.495 2.162 3.428 1.00 0.00 C ATOM 118 CG2 VAL A 14 -5.423 3.588 1.556 1.00 0.00 C ATOM 0 H VAL A 14 -4.717 0.772 -0.480 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.998 2.855 0.765 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.428 1.398 1.793 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.407 2.386 3.981 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.162 1.153 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.719 2.877 3.703 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -6.223 3.802 2.264 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -4.677 4.382 1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -5.835 3.533 0.549 1.00 0.00 H new ATOM 128 N VAL A 15 -1.763 1.434 2.309 1.00 0.00 N ATOM 129 CA VAL A 15 -0.705 0.697 2.975 1.00 0.00 C ATOM 130 C VAL A 15 -0.922 0.863 4.446 1.00 0.00 C ATOM 131 O VAL A 15 -1.402 1.903 4.903 1.00 0.00 O ATOM 132 CB VAL A 15 0.697 1.099 2.588 1.00 0.00 C ATOM 133 CG1 VAL A 15 0.869 0.603 1.139 1.00 0.00 C ATOM 134 CG2 VAL A 15 0.926 2.611 2.804 1.00 0.00 C ATOM 0 H VAL A 15 -1.822 2.393 2.652 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.770 -0.344 2.660 1.00 0.00 H new ATOM 0 HB VAL A 15 1.467 0.649 3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.867 0.858 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.738 -0.479 1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.124 1.078 0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.945 2.869 2.516 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.222 3.176 2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.773 2.856 3.855 1.00 0.00 H new ATOM 144 N ALA A 16 -0.614 -0.231 5.173 1.00 0.00 N ATOM 145 CA ALA A 16 -0.943 -0.465 6.545 1.00 0.00 C ATOM 146 C ALA A 16 0.290 -0.804 7.359 1.00 0.00 C ATOM 147 O ALA A 16 0.846 -1.890 7.283 1.00 0.00 O ATOM 148 CB ALA A 16 -1.966 -1.632 6.468 1.00 0.00 C ATOM 0 H ALA A 16 -0.095 -1.009 4.766 1.00 0.00 H new ATOM 0 HA ALA A 16 -1.357 0.407 7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -2.291 -1.898 7.474 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.829 -1.321 5.879 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.497 -2.496 5.997 1.00 0.00 H new ATOM 154 N LYS A 17 0.714 0.162 8.193 1.00 0.00 N ATOM 155 CA LYS A 17 1.876 0.176 9.049 1.00 0.00 C ATOM 156 C LYS A 17 1.440 0.765 10.398 1.00 0.00 C ATOM 157 O LYS A 17 1.069 1.921 10.429 1.00 0.00 O ATOM 158 CB LYS A 17 2.998 1.073 8.394 1.00 0.00 C ATOM 159 CG LYS A 17 2.642 2.016 7.197 1.00 0.00 C ATOM 160 CD LYS A 17 3.091 3.477 7.419 1.00 0.00 C ATOM 161 CE LYS A 17 4.567 3.760 7.129 1.00 0.00 C ATOM 162 NZ LYS A 17 4.938 5.164 7.419 1.00 0.00 N ATOM 0 H LYS A 17 0.187 1.031 8.280 1.00 0.00 H new ATOM 0 HA LYS A 17 2.279 -0.827 9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.419 1.695 9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.792 0.406 8.057 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.109 1.633 6.290 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.564 1.995 7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.483 4.126 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.882 3.751 8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.187 3.092 7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.778 3.540 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.846 5.186 7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.026 5.691 6.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.203 5.603 8.009 1.00 0.00 H new ATOM 176 N TRP A 18 1.451 0.061 11.559 1.00 0.00 N ATOM 177 CA TRP A 18 0.984 0.658 12.837 1.00 0.00 C ATOM 178 C TRP A 18 2.031 1.467 13.639 1.00 0.00 C ATOM 179 O TRP A 18 1.752 2.506 14.234 1.00 0.00 O ATOM 180 CB TRP A 18 0.273 -0.397 13.722 1.00 0.00 C ATOM 181 CG TRP A 18 -1.070 -0.849 13.180 1.00 0.00 C ATOM 182 CD1 TRP A 18 -1.488 -1.992 12.551 1.00 0.00 C ATOM 183 CD2 TRP A 18 -2.243 -0.095 13.489 1.00 0.00 C ATOM 184 NE1 TRP A 18 -2.869 -2.008 12.474 1.00 0.00 N ATOM 185 CE2 TRP A 18 -3.338 -0.866 13.099 1.00 0.00 C ATOM 186 CE3 TRP A 18 -2.384 1.119 14.101 1.00 0.00 C ATOM 187 CZ2 TRP A 18 -4.605 -0.456 13.379 1.00 0.00 C ATOM 188 CZ3 TRP A 18 -3.657 1.484 14.448 1.00 0.00 C ATOM 189 CH2 TRP A 18 -4.750 0.699 14.121 1.00 0.00 C ATOM 0 H TRP A 18 1.772 -0.904 11.637 1.00 0.00 H new ATOM 0 HA TRP A 18 0.264 1.415 12.527 1.00 0.00 H new ATOM 0 HB2 TRP A 18 0.923 -1.266 13.827 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.130 0.017 14.720 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.836 -2.765 12.172 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.439 -2.731 12.035 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.536 1.757 14.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.464 -1.013 13.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.812 2.406 14.989 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.734 0.996 14.453 1.00 0.00 H new ATOM 200 N SER A 19 3.287 1.004 13.658 1.00 0.00 N ATOM 201 CA SER A 19 4.446 1.672 14.230 1.00 0.00 C ATOM 202 C SER A 19 5.416 1.620 13.087 1.00 0.00 C ATOM 203 O SER A 19 5.330 0.673 12.299 1.00 0.00 O ATOM 204 CB SER A 19 5.070 0.924 15.446 1.00 0.00 C ATOM 205 OG SER A 19 4.137 0.824 16.512 1.00 0.00 O ATOM 0 H SER A 19 3.527 0.101 13.249 1.00 0.00 H new ATOM 0 HA SER A 19 4.192 2.661 14.611 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.388 -0.073 15.141 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.961 1.453 15.785 1.00 0.00 H new ATOM 0 HG SER A 19 4.549 0.350 17.264 1.00 0.00 H new ATOM 211 N SER A 20 6.400 2.565 12.922 1.00 0.00 N ATOM 212 CA SER A 20 7.392 2.376 11.846 1.00 0.00 C ATOM 213 C SER A 20 8.393 1.260 12.220 1.00 0.00 C ATOM 214 O SER A 20 9.232 1.387 13.104 1.00 0.00 O ATOM 215 CB SER A 20 8.133 3.707 11.517 1.00 0.00 C ATOM 216 OG SER A 20 8.741 4.298 12.667 1.00 0.00 O ATOM 0 H SER A 20 6.513 3.407 13.487 1.00 0.00 H new ATOM 0 HA SER A 20 6.858 2.069 10.947 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.898 3.516 10.764 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.426 4.413 11.081 1.00 0.00 H new ATOM 0 HG SER A 20 9.190 3.604 13.193 1.00 0.00 H new ATOM 222 N ASN A 21 8.189 0.133 11.502 1.00 0.00 N ATOM 223 CA ASN A 21 8.725 -1.210 11.674 1.00 0.00 C ATOM 224 C ASN A 21 9.789 -1.556 10.665 1.00 0.00 C ATOM 225 O ASN A 21 10.639 -2.418 10.862 1.00 0.00 O ATOM 226 CB ASN A 21 7.439 -2.084 11.442 1.00 0.00 C ATOM 227 CG ASN A 21 7.532 -3.620 11.456 1.00 0.00 C ATOM 228 OD1 ASN A 21 7.206 -4.238 10.432 1.00 0.00 O ATOM 229 ND2 ASN A 21 7.958 -4.238 12.586 1.00 0.00 N ATOM 0 H ASN A 21 7.567 0.162 10.694 1.00 0.00 H new ATOM 0 HA ASN A 21 9.218 -1.351 12.636 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.713 -1.798 12.203 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.022 -1.795 10.478 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.021 -5.256 12.618 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.215 -3.685 13.404 1.00 0.00 H new ATOM 236 N GLY A 22 9.671 -0.863 9.536 1.00 0.00 N ATOM 237 CA GLY A 22 10.452 -0.988 8.343 1.00 0.00 C ATOM 238 C GLY A 22 9.711 -1.568 7.204 1.00 0.00 C ATOM 239 O GLY A 22 10.140 -1.320 6.095 1.00 0.00 O ATOM 0 H GLY A 22 8.958 -0.139 9.441 1.00 0.00 H new ATOM 0 HA2 GLY A 22 10.825 -0.004 8.059 1.00 0.00 H new ATOM 0 HA3 GLY A 22 11.322 -1.610 8.553 1.00 0.00 H new ATOM 243 N TYR A 23 8.568 -2.269 7.388 1.00 0.00 N ATOM 244 CA TYR A 23 7.655 -2.677 6.323 1.00 0.00 C ATOM 245 C TYR A 23 6.183 -2.482 6.632 1.00 0.00 C ATOM 246 O TYR A 23 5.738 -2.595 7.776 1.00 0.00 O ATOM 247 CB TYR A 23 8.036 -3.947 5.509 1.00 0.00 C ATOM 248 CG TYR A 23 8.780 -4.998 6.301 1.00 0.00 C ATOM 249 CD1 TYR A 23 8.295 -5.464 7.510 1.00 0.00 C ATOM 250 CD2 TYR A 23 9.965 -5.533 5.824 1.00 0.00 C ATOM 251 CE1 TYR A 23 9.008 -6.376 8.260 1.00 0.00 C ATOM 252 CE2 TYR A 23 10.676 -6.462 6.563 1.00 0.00 C ATOM 253 CZ TYR A 23 10.211 -6.865 7.801 1.00 0.00 C ATOM 254 OH TYR A 23 10.930 -7.774 8.611 1.00 0.00 O ATOM 0 H TYR A 23 8.257 -2.569 8.312 1.00 0.00 H new ATOM 0 HA TYR A 23 7.842 -1.919 5.563 1.00 0.00 H new ATOM 0 HB2 TYR A 23 7.126 -4.391 5.105 1.00 0.00 H new ATOM 0 HB3 TYR A 23 8.650 -3.648 4.659 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.342 -5.108 7.873 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.340 -5.220 4.861 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.621 -6.708 9.212 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.595 -6.873 6.172 1.00 0.00 H new ATOM 0 HH TYR A 23 11.758 -8.033 8.156 1.00 0.00 H new ATOM 264 N PHE A 24 5.389 -2.157 5.569 1.00 0.00 N ATOM 265 CA PHE A 24 3.957 -1.901 5.565 1.00 0.00 C ATOM 266 C PHE A 24 3.345 -3.037 4.794 1.00 0.00 C ATOM 267 O PHE A 24 3.921 -3.516 3.821 1.00 0.00 O ATOM 268 CB PHE A 24 3.443 -0.547 4.911 1.00 0.00 C ATOM 269 CG PHE A 24 4.467 0.566 4.763 1.00 0.00 C ATOM 270 CD1 PHE A 24 5.409 0.702 5.761 1.00 0.00 C ATOM 271 CD2 PHE A 24 4.443 1.570 3.779 1.00 0.00 C ATOM 272 CE1 PHE A 24 6.474 1.529 5.638 1.00 0.00 C ATOM 273 CE2 PHE A 24 5.468 2.484 3.726 1.00 0.00 C ATOM 274 CZ PHE A 24 6.525 2.413 4.604 1.00 0.00 C ATOM 0 H PHE A 24 5.785 -2.066 4.633 1.00 0.00 H new ATOM 0 HA PHE A 24 3.669 -1.810 6.612 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.043 -0.776 3.923 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.615 -0.171 5.512 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.293 0.130 6.670 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.628 1.622 3.072 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.279 1.488 6.357 1.00 0.00 H new ATOM 0 HE2 PHE A 24 5.443 3.269 2.985 1.00 0.00 H new ATOM 0 HZ PHE A 24 7.386 3.052 4.474 1.00 0.00 H new ATOM 284 N TYR A 25 2.132 -3.396 5.239 1.00 0.00 N ATOM 285 CA TYR A 25 1.156 -4.365 4.797 1.00 0.00 C ATOM 286 C TYR A 25 0.101 -3.594 4.008 1.00 0.00 C ATOM 287 O TYR A 25 0.273 -2.430 3.679 1.00 0.00 O ATOM 288 CB TYR A 25 0.592 -5.159 6.026 1.00 0.00 C ATOM 289 CG TYR A 25 1.745 -5.523 6.949 1.00 0.00 C ATOM 290 CD1 TYR A 25 2.724 -6.421 6.553 1.00 0.00 C ATOM 291 CD2 TYR A 25 1.926 -4.850 8.151 1.00 0.00 C ATOM 292 CE1 TYR A 25 3.875 -6.583 7.300 1.00 0.00 C ATOM 293 CE2 TYR A 25 3.089 -4.994 8.886 1.00 0.00 C ATOM 294 CZ TYR A 25 4.076 -5.852 8.450 1.00 0.00 C ATOM 295 OH TYR A 25 5.287 -6.004 9.164 1.00 0.00 O ATOM 0 H TYR A 25 1.767 -2.917 6.063 1.00 0.00 H new ATOM 0 HA TYR A 25 1.583 -5.127 4.145 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.142 -4.556 6.560 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.080 -6.060 5.689 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.586 -7.000 5.652 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.144 -4.202 8.518 1.00 0.00 H new ATOM 0 HE1 TYR A 25 4.625 -7.290 6.979 1.00 0.00 H new ATOM 0 HE2 TYR A 25 3.224 -4.435 9.800 1.00 0.00 H new ATOM 0 HH TYR A 25 5.617 -5.123 9.439 1.00 0.00 H new ATOM 305 N SER A 26 -0.988 -4.233 3.577 1.00 0.00 N ATOM 306 CA SER A 26 -2.090 -3.678 2.791 1.00 0.00 C ATOM 307 C SER A 26 -3.411 -3.218 3.475 1.00 0.00 C ATOM 308 O SER A 26 -3.957 -3.902 4.336 1.00 0.00 O ATOM 309 CB SER A 26 -2.493 -4.805 1.830 1.00 0.00 C ATOM 310 OG SER A 26 -2.735 -6.044 2.510 1.00 0.00 O ATOM 0 H SER A 26 -1.133 -5.221 3.783 1.00 0.00 H new ATOM 0 HA SER A 26 -1.684 -2.748 2.393 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.391 -4.511 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.705 -4.948 1.091 1.00 0.00 H new ATOM 0 HG SER A 26 -3.252 -5.874 3.325 1.00 0.00 H new ATOM 316 N GLY A 27 -3.971 -2.067 3.015 1.00 0.00 N ATOM 317 CA GLY A 27 -5.220 -1.399 3.410 1.00 0.00 C ATOM 318 C GLY A 27 -5.971 -0.834 2.209 1.00 0.00 C ATOM 319 O GLY A 27 -5.384 -0.721 1.145 1.00 0.00 O ATOM 0 H GLY A 27 -3.501 -1.537 2.281 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.859 -2.108 3.936 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.995 -0.593 4.108 1.00 0.00 H new ATOM 323 N LYS A 28 -7.264 -0.411 2.304 1.00 0.00 N ATOM 324 CA LYS A 28 -7.990 0.376 1.263 1.00 0.00 C ATOM 325 C LYS A 28 -8.623 1.627 1.928 1.00 0.00 C ATOM 326 O LYS A 28 -9.100 1.476 3.059 1.00 0.00 O ATOM 327 CB LYS A 28 -9.059 -0.461 0.498 1.00 0.00 C ATOM 328 CG LYS A 28 -10.221 -1.018 1.336 1.00 0.00 C ATOM 329 CD LYS A 28 -11.227 -1.870 0.548 1.00 0.00 C ATOM 330 CE LYS A 28 -10.673 -3.243 0.146 1.00 0.00 C ATOM 331 NZ LYS A 28 -11.674 -4.025 -0.616 1.00 0.00 N ATOM 0 H LYS A 28 -7.841 -0.611 3.121 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.267 0.683 0.508 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.477 0.161 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -8.555 -1.298 0.014 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -9.811 -1.621 2.146 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -10.752 -0.185 1.796 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -12.125 -2.010 1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.526 -1.329 -0.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.774 -3.113 -0.457 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -10.380 -3.795 1.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.270 -4.948 -0.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -12.521 -4.169 -0.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -11.934 -3.508 -1.480 1.00 0.00 H new ATOM 345 N ILE A 29 -8.673 2.907 1.343 1.00 0.00 N ATOM 346 CA ILE A 29 -9.259 4.030 2.121 1.00 0.00 C ATOM 347 C ILE A 29 -10.731 4.242 1.811 1.00 0.00 C ATOM 348 O ILE A 29 -11.119 4.156 0.650 1.00 0.00 O ATOM 349 CB ILE A 29 -8.411 5.316 2.038 1.00 0.00 C ATOM 350 CG1 ILE A 29 -8.169 5.912 3.434 1.00 0.00 C ATOM 351 CG2 ILE A 29 -8.914 6.416 1.093 1.00 0.00 C ATOM 352 CD1 ILE A 29 -7.213 5.062 4.270 1.00 0.00 C ATOM 0 H ILE A 29 -8.336 3.143 0.410 1.00 0.00 H new ATOM 0 HA ILE A 29 -9.225 3.738 3.170 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.481 4.966 1.590 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.762 6.918 3.332 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.121 6.005 3.957 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.231 7.265 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.961 6.028 0.076 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.908 6.738 1.405 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -7.074 5.525 5.247 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.631 4.063 4.398 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.251 4.991 3.762 1.00 0.00 H new ATOM 364 N THR A 30 -11.592 4.496 2.836 1.00 0.00 N ATOM 365 CA THR A 30 -13.039 4.680 2.634 1.00 0.00 C ATOM 366 C THR A 30 -13.528 6.089 2.963 1.00 0.00 C ATOM 367 O THR A 30 -14.464 6.578 2.328 1.00 0.00 O ATOM 368 CB THR A 30 -13.867 3.606 3.339 1.00 0.00 C ATOM 369 OG1 THR A 30 -13.270 3.227 4.569 1.00 0.00 O ATOM 370 CG2 THR A 30 -13.891 2.334 2.475 1.00 0.00 C ATOM 0 H THR A 30 -11.298 4.576 3.809 1.00 0.00 H new ATOM 0 HA THR A 30 -13.198 4.555 1.563 1.00 0.00 H new ATOM 0 HB THR A 30 -14.863 4.018 3.503 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.819 2.540 5.001 1.00 0.00 H new ATOM 0 HG21 THR A 30 -14.481 1.566 2.975 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.336 2.560 1.506 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.873 1.973 2.331 1.00 0.00 H new ATOM 378 N ARG A 31 -12.909 6.788 3.955 1.00 0.00 N ATOM 379 CA ARG A 31 -13.278 8.143 4.330 1.00 0.00 C ATOM 380 C ARG A 31 -12.027 8.756 4.931 1.00 0.00 C ATOM 381 O ARG A 31 -11.053 8.073 5.227 1.00 0.00 O ATOM 382 CB ARG A 31 -14.411 8.186 5.406 1.00 0.00 C ATOM 383 CG ARG A 31 -15.859 8.150 4.895 1.00 0.00 C ATOM 384 CD ARG A 31 -16.816 8.498 6.048 1.00 0.00 C ATOM 385 NE ARG A 31 -16.792 9.992 6.258 1.00 0.00 N ATOM 386 CZ ARG A 31 -17.177 10.600 7.424 1.00 0.00 C ATOM 387 NH1 ARG A 31 -17.632 9.869 8.482 1.00 0.00 N ATOM 388 NH2 ARG A 31 -17.099 11.959 7.525 1.00 0.00 N ATOM 0 H ARG A 31 -12.140 6.408 4.506 1.00 0.00 H new ATOM 0 HA ARG A 31 -13.653 8.673 3.454 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -14.269 7.342 6.081 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -14.283 9.093 5.997 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -15.985 8.859 4.076 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -16.092 7.161 4.500 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -17.827 8.165 5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -16.513 7.983 6.960 1.00 0.00 H new ATOM 0 HE ARG A 31 -16.472 10.582 5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -17.690 8.853 8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -17.914 10.338 9.342 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -16.757 12.510 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -17.383 12.423 8.388 1.00 0.00 H new ATOM 402 N ASP A 32 -12.033 10.079 5.206 1.00 0.00 N ATOM 403 CA ASP A 32 -10.980 10.776 5.950 1.00 0.00 C ATOM 404 C ASP A 32 -11.456 11.019 7.388 1.00 0.00 C ATOM 405 O ASP A 32 -12.653 11.170 7.618 1.00 0.00 O ATOM 406 CB ASP A 32 -10.499 12.095 5.260 1.00 0.00 C ATOM 407 CG ASP A 32 -11.618 13.108 4.965 1.00 0.00 C ATOM 408 OD1 ASP A 32 -12.454 12.834 4.064 1.00 0.00 O ATOM 409 OD2 ASP A 32 -11.635 14.174 5.637 1.00 0.00 O ATOM 0 H ASP A 32 -12.788 10.697 4.908 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.099 10.134 5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.754 12.572 5.897 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.002 11.840 4.324 1.00 0.00 H new ATOM 414 N VAL A 33 -10.548 11.081 8.397 1.00 0.00 N ATOM 415 CA VAL A 33 -10.932 11.445 9.764 1.00 0.00 C ATOM 416 C VAL A 33 -10.003 12.601 10.058 1.00 0.00 C ATOM 417 O VAL A 33 -8.798 12.467 9.954 1.00 0.00 O ATOM 418 CB VAL A 33 -10.915 10.314 10.840 1.00 0.00 C ATOM 419 CG1 VAL A 33 -12.357 9.762 10.895 1.00 0.00 C ATOM 420 CG2 VAL A 33 -9.911 9.153 10.608 1.00 0.00 C ATOM 0 H VAL A 33 -9.554 10.883 8.279 1.00 0.00 H new ATOM 0 HA VAL A 33 -11.992 11.694 9.822 1.00 0.00 H new ATOM 0 HB VAL A 33 -10.569 10.757 11.774 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -12.413 8.962 11.634 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -13.043 10.562 11.174 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.635 9.371 9.916 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -9.994 8.432 11.421 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -10.136 8.661 9.662 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -8.896 9.550 10.578 1.00 0.00 H new ATOM 430 N GLY A 34 -10.530 13.808 10.387 1.00 0.00 N ATOM 431 CA GLY A 34 -9.796 15.078 10.593 1.00 0.00 C ATOM 432 C GLY A 34 -8.740 15.493 9.562 1.00 0.00 C ATOM 433 O GLY A 34 -8.860 15.231 8.369 1.00 0.00 O ATOM 0 H GLY A 34 -11.534 13.925 10.523 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -10.532 15.879 10.653 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.305 15.022 11.565 1.00 0.00 H new ATOM 437 N ALA A 35 -7.651 16.139 10.035 1.00 0.00 N ATOM 438 CA ALA A 35 -6.427 16.428 9.303 1.00 0.00 C ATOM 439 C ALA A 35 -5.362 15.479 9.824 1.00 0.00 C ATOM 440 O ALA A 35 -5.093 15.462 11.023 1.00 0.00 O ATOM 441 CB ALA A 35 -6.034 17.912 9.484 1.00 0.00 C ATOM 0 H ALA A 35 -7.615 16.487 10.993 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.554 16.276 8.231 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.117 18.115 8.932 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.834 18.549 9.106 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.874 18.120 10.542 1.00 0.00 H new ATOM 447 N GLY A 36 -4.737 14.663 8.939 1.00 0.00 N ATOM 448 CA GLY A 36 -3.674 13.729 9.300 1.00 0.00 C ATOM 449 C GLY A 36 -4.139 12.315 9.521 1.00 0.00 C ATOM 450 O GLY A 36 -3.305 11.444 9.754 1.00 0.00 O ATOM 0 H GLY A 36 -4.970 14.645 7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.921 13.732 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.187 14.085 10.208 1.00 0.00 H new ATOM 454 N LYS A 37 -5.468 12.046 9.462 1.00 0.00 N ATOM 455 CA LYS A 37 -6.049 10.734 9.691 1.00 0.00 C ATOM 456 C LYS A 37 -7.012 10.320 8.581 1.00 0.00 C ATOM 457 O LYS A 37 -7.507 11.112 7.777 1.00 0.00 O ATOM 458 CB LYS A 37 -6.603 10.564 11.154 1.00 0.00 C ATOM 459 CG LYS A 37 -6.587 11.815 12.048 1.00 0.00 C ATOM 460 CD LYS A 37 -7.478 11.637 13.284 1.00 0.00 C ATOM 461 CE LYS A 37 -7.587 12.922 14.112 1.00 0.00 C ATOM 462 NZ LYS A 37 -8.487 12.733 15.272 1.00 0.00 N ATOM 0 H LYS A 37 -6.164 12.761 9.249 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.239 10.007 9.628 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.630 10.205 11.089 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.024 9.785 11.649 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.565 12.025 12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.927 12.677 11.474 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.474 11.325 12.969 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.075 10.839 13.907 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.598 13.219 14.460 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.961 13.732 13.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.543 13.618 15.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.436 12.472 14.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.115 11.976 15.880 1.00 0.00 H new ATOM 476 N TYR A 38 -7.310 8.991 8.536 1.00 0.00 N ATOM 477 CA TYR A 38 -8.194 8.317 7.597 1.00 0.00 C ATOM 478 C TYR A 38 -9.025 7.220 8.261 1.00 0.00 C ATOM 479 O TYR A 38 -8.630 6.651 9.281 1.00 0.00 O ATOM 480 CB TYR A 38 -7.385 7.663 6.471 1.00 0.00 C ATOM 481 CG TYR A 38 -6.563 8.689 5.747 1.00 0.00 C ATOM 482 CD1 TYR A 38 -7.179 9.691 5.031 1.00 0.00 C ATOM 483 CD2 TYR A 38 -5.190 8.716 5.901 1.00 0.00 C ATOM 484 CE1 TYR A 38 -6.430 10.725 4.518 1.00 0.00 C ATOM 485 CE2 TYR A 38 -4.403 9.660 5.253 1.00 0.00 C ATOM 486 CZ TYR A 38 -5.059 10.699 4.600 1.00 0.00 C ATOM 487 OH TYR A 38 -4.374 11.752 3.958 1.00 0.00 O ATOM 0 H TYR A 38 -6.903 8.338 9.206 1.00 0.00 H new ATOM 0 HA TYR A 38 -8.861 9.086 7.207 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -6.734 6.893 6.884 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.059 7.169 5.771 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -8.247 9.665 4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.717 7.985 6.541 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -6.923 11.563 4.048 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.325 9.590 5.256 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.393 12.549 4.527 1.00 0.00 H new ATOM 497 N LYS A 39 -10.223 6.905 7.687 1.00 0.00 N ATOM 498 CA LYS A 39 -11.173 5.863 8.068 1.00 0.00 C ATOM 499 C LYS A 39 -10.978 4.904 6.948 1.00 0.00 C ATOM 500 O LYS A 39 -11.136 5.182 5.748 1.00 0.00 O ATOM 501 CB LYS A 39 -12.643 6.321 8.141 1.00 0.00 C ATOM 502 CG LYS A 39 -13.614 5.187 8.534 1.00 0.00 C ATOM 503 CD LYS A 39 -15.062 5.356 8.056 1.00 0.00 C ATOM 504 CE LYS A 39 -15.286 4.577 6.751 1.00 0.00 C ATOM 505 NZ LYS A 39 -16.683 4.696 6.282 1.00 0.00 N ATOM 0 H LYS A 39 -10.560 7.429 6.879 1.00 0.00 H new ATOM 0 HA LYS A 39 -10.994 5.482 9.074 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.729 7.131 8.865 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.939 6.725 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.227 4.248 8.137 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.617 5.097 9.620 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.749 5.000 8.823 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.280 6.412 7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.610 4.951 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.042 3.526 6.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -16.800 4.159 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.326 4.316 7.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.907 5.697 6.110 1.00 0.00 H new ATOM 519 N LEU A 40 -10.472 3.752 7.388 1.00 0.00 N ATOM 520 CA LEU A 40 -9.908 2.817 6.450 1.00 0.00 C ATOM 521 C LEU A 40 -10.383 1.443 6.680 1.00 0.00 C ATOM 522 O LEU A 40 -10.770 1.064 7.776 1.00 0.00 O ATOM 523 CB LEU A 40 -8.374 2.911 6.578 1.00 0.00 C ATOM 524 CG LEU A 40 -7.691 2.292 7.817 1.00 0.00 C ATOM 525 CD1 LEU A 40 -8.390 2.539 9.155 1.00 0.00 C ATOM 526 CD2 LEU A 40 -7.298 0.818 7.587 1.00 0.00 C ATOM 0 H LEU A 40 -10.446 3.460 8.365 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.226 3.070 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.940 2.444 5.694 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.104 3.967 6.545 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.765 2.857 7.927 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.825 2.060 9.955 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.448 3.611 9.343 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.397 2.122 9.122 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.821 0.424 8.485 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.191 0.234 7.365 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.604 0.753 6.749 1.00 0.00 H new ATOM 538 N LEU A 41 -10.355 0.584 5.665 1.00 0.00 N ATOM 539 CA LEU A 41 -10.648 -0.800 5.934 1.00 0.00 C ATOM 540 C LEU A 41 -9.551 -1.610 5.333 1.00 0.00 C ATOM 541 O LEU A 41 -9.032 -1.208 4.313 1.00 0.00 O ATOM 542 CB LEU A 41 -12.132 -0.931 5.588 1.00 0.00 C ATOM 543 CG LEU A 41 -12.788 -2.307 5.667 1.00 0.00 C ATOM 544 CD1 LEU A 41 -14.311 -2.185 5.850 1.00 0.00 C ATOM 545 CD2 LEU A 41 -12.568 -3.076 4.362 1.00 0.00 C ATOM 0 H LEU A 41 -10.142 0.816 4.695 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.610 -1.210 6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -12.685 -0.264 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.268 -0.559 4.573 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.339 -2.824 6.515 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.752 -3.180 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -14.525 -1.644 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.737 -1.644 5.005 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -13.041 -4.055 4.433 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -13.007 -2.520 3.534 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.499 -3.201 4.189 1.00 0.00 H new ATOM 557 N PHE A 42 -9.100 -2.775 5.873 1.00 0.00 N ATOM 558 CA PHE A 42 -8.052 -3.578 5.185 1.00 0.00 C ATOM 559 C PHE A 42 -8.626 -4.380 4.003 1.00 0.00 C ATOM 560 O PHE A 42 -9.805 -4.715 3.974 1.00 0.00 O ATOM 561 CB PHE A 42 -7.217 -4.592 6.062 1.00 0.00 C ATOM 562 CG PHE A 42 -6.245 -3.960 7.053 1.00 0.00 C ATOM 563 CD1 PHE A 42 -6.485 -2.796 7.776 1.00 0.00 C ATOM 564 CD2 PHE A 42 -5.041 -4.611 7.293 1.00 0.00 C ATOM 565 CE1 PHE A 42 -5.545 -2.286 8.650 1.00 0.00 C ATOM 566 CE2 PHE A 42 -4.103 -4.107 8.172 1.00 0.00 C ATOM 567 CZ PHE A 42 -4.346 -2.932 8.849 1.00 0.00 C ATOM 0 H PHE A 42 -9.432 -3.169 6.753 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.363 -2.794 4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -7.912 -5.224 6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -6.654 -5.244 5.394 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -7.426 -2.280 7.651 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.833 -5.537 6.778 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -5.753 -1.370 9.183 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -3.175 -4.636 8.329 1.00 0.00 H new ATOM 0 HZ PHE A 42 -3.608 -2.525 9.524 1.00 0.00 H new ATOM 577 N ASP A 43 -7.769 -4.796 3.025 1.00 0.00 N ATOM 578 CA ASP A 43 -8.052 -5.624 1.824 1.00 0.00 C ATOM 579 C ASP A 43 -8.524 -7.064 2.120 1.00 0.00 C ATOM 580 O ASP A 43 -8.852 -7.868 1.248 1.00 0.00 O ATOM 581 CB ASP A 43 -6.785 -5.636 0.904 1.00 0.00 C ATOM 582 CG ASP A 43 -7.043 -6.103 -0.539 1.00 0.00 C ATOM 583 OD1 ASP A 43 -7.933 -5.510 -1.205 1.00 0.00 O ATOM 584 OD2 ASP A 43 -6.351 -7.056 -0.986 1.00 0.00 O ATOM 0 H ASP A 43 -6.783 -4.537 3.064 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.899 -5.157 1.321 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.363 -4.631 0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.033 -6.285 1.353 1.00 0.00 H new ATOM 589 N ASP A 44 -8.573 -7.363 3.432 1.00 0.00 N ATOM 590 CA ASP A 44 -8.982 -8.573 4.096 1.00 0.00 C ATOM 591 C ASP A 44 -10.123 -8.309 5.114 1.00 0.00 C ATOM 592 O ASP A 44 -10.605 -9.248 5.739 1.00 0.00 O ATOM 593 CB ASP A 44 -7.704 -9.289 4.653 1.00 0.00 C ATOM 594 CG ASP A 44 -6.929 -8.461 5.693 1.00 0.00 C ATOM 595 OD1 ASP A 44 -7.402 -8.358 6.856 1.00 0.00 O ATOM 596 OD2 ASP A 44 -5.845 -7.929 5.330 1.00 0.00 O ATOM 0 H ASP A 44 -8.288 -6.663 4.117 1.00 0.00 H new ATOM 0 HA ASP A 44 -9.443 -9.274 3.400 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.998 -10.237 5.104 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.039 -9.524 3.821 1.00 0.00 H new ATOM 601 N GLY A 45 -10.633 -7.032 5.264 1.00 0.00 N ATOM 602 CA GLY A 45 -11.859 -6.675 5.993 1.00 0.00 C ATOM 603 C GLY A 45 -11.774 -6.187 7.417 1.00 0.00 C ATOM 604 O GLY A 45 -12.776 -6.205 8.127 1.00 0.00 O ATOM 0 H GLY A 45 -10.170 -6.218 4.860 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.366 -5.902 5.415 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -12.506 -7.552 5.989 1.00 0.00 H new ATOM 608 N TYR A 46 -10.602 -5.699 7.893 1.00 0.00 N ATOM 609 CA TYR A 46 -10.432 -5.128 9.232 1.00 0.00 C ATOM 610 C TYR A 46 -10.591 -3.599 9.165 1.00 0.00 C ATOM 611 O TYR A 46 -9.694 -2.903 8.699 1.00 0.00 O ATOM 612 CB TYR A 46 -9.044 -5.544 9.847 1.00 0.00 C ATOM 613 CG TYR A 46 -8.818 -4.963 11.230 1.00 0.00 C ATOM 614 CD1 TYR A 46 -9.540 -5.429 12.312 1.00 0.00 C ATOM 615 CD2 TYR A 46 -8.023 -3.838 11.385 1.00 0.00 C ATOM 616 CE1 TYR A 46 -9.495 -4.764 13.522 1.00 0.00 C ATOM 617 CE2 TYR A 46 -8.001 -3.156 12.585 1.00 0.00 C ATOM 618 CZ TYR A 46 -8.742 -3.618 13.651 1.00 0.00 C ATOM 619 OH TYR A 46 -8.784 -2.883 14.852 1.00 0.00 O ATOM 0 H TYR A 46 -9.743 -5.696 7.343 1.00 0.00 H new ATOM 0 HA TYR A 46 -11.204 -5.524 9.892 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.986 -6.631 9.900 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.244 -5.214 9.184 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.143 -6.319 12.211 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -7.416 -3.493 10.561 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.050 -5.143 14.367 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.404 -2.262 12.688 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.040 -1.957 14.660 1.00 0.00 H new ATOM 629 N GLU A 47 -11.721 -3.022 9.661 1.00 0.00 N ATOM 630 CA GLU A 47 -11.950 -1.571 9.700 1.00 0.00 C ATOM 631 C GLU A 47 -11.587 -0.912 11.024 1.00 0.00 C ATOM 632 O GLU A 47 -11.647 -1.509 12.101 1.00 0.00 O ATOM 633 CB GLU A 47 -13.406 -1.155 9.346 1.00 0.00 C ATOM 634 CG GLU A 47 -13.591 0.335 8.927 1.00 0.00 C ATOM 635 CD GLU A 47 -14.562 1.063 9.858 1.00 0.00 C ATOM 636 OE1 GLU A 47 -15.740 0.624 9.942 1.00 0.00 O ATOM 637 OE2 GLU A 47 -14.144 2.069 10.488 1.00 0.00 O ATOM 0 H GLU A 47 -12.496 -3.564 10.044 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.270 -1.211 8.928 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.760 -1.790 8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -14.043 -1.354 10.208 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.625 0.840 8.940 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -13.962 0.383 7.903 1.00 0.00 H new ATOM 644 N CYS A 48 -11.218 0.390 10.930 1.00 0.00 N ATOM 645 CA CYS A 48 -10.839 1.199 12.070 1.00 0.00 C ATOM 646 C CYS A 48 -10.807 2.608 11.556 1.00 0.00 C ATOM 647 O CYS A 48 -10.999 2.843 10.362 1.00 0.00 O ATOM 648 CB CYS A 48 -9.445 0.808 12.671 1.00 0.00 C ATOM 649 SG CYS A 48 -9.614 0.171 14.367 1.00 0.00 S ATOM 0 H CYS A 48 -11.181 0.894 10.044 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.548 1.056 12.885 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -8.974 0.053 12.042 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -8.789 1.678 12.670 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.441 -0.144 14.831 1.00 0.00 H new ATOM 655 N ASP A 49 -10.498 3.586 12.441 1.00 0.00 N ATOM 656 CA ASP A 49 -10.125 4.928 12.026 1.00 0.00 C ATOM 657 C ASP A 49 -8.742 5.053 12.635 1.00 0.00 C ATOM 658 O ASP A 49 -8.527 4.599 13.764 1.00 0.00 O ATOM 659 CB ASP A 49 -10.935 6.119 12.621 1.00 0.00 C ATOM 660 CG ASP A 49 -12.440 5.845 12.633 1.00 0.00 C ATOM 661 OD1 ASP A 49 -12.900 5.064 13.509 1.00 0.00 O ATOM 662 OD2 ASP A 49 -13.155 6.430 11.776 1.00 0.00 O ATOM 0 H ASP A 49 -10.505 3.452 13.452 1.00 0.00 H new ATOM 0 HA ASP A 49 -10.262 5.005 10.947 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.595 6.316 13.638 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.736 7.019 12.039 1.00 0.00 H new ATOM 667 N VAL A 50 -7.777 5.622 11.893 1.00 0.00 N ATOM 668 CA VAL A 50 -6.390 5.715 12.299 1.00 0.00 C ATOM 669 C VAL A 50 -5.748 6.956 11.755 1.00 0.00 C ATOM 670 O VAL A 50 -6.270 7.583 10.834 1.00 0.00 O ATOM 671 CB VAL A 50 -5.537 4.573 11.751 1.00 0.00 C ATOM 672 CG1 VAL A 50 -5.932 3.265 12.438 1.00 0.00 C ATOM 673 CG2 VAL A 50 -5.703 4.500 10.217 1.00 0.00 C ATOM 0 H VAL A 50 -7.957 6.035 10.978 1.00 0.00 H new ATOM 0 HA VAL A 50 -6.422 5.698 13.388 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.482 4.750 11.962 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.323 2.450 12.047 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.771 3.355 13.512 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.984 3.056 12.245 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.095 3.685 9.824 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.750 4.322 9.972 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.381 5.441 9.771 1.00 0.00 H new ATOM 683 N LEU A 51 -4.521 7.285 12.266 1.00 0.00 N ATOM 684 CA LEU A 51 -3.617 8.300 11.719 1.00 0.00 C ATOM 685 C LEU A 51 -2.997 7.849 10.411 1.00 0.00 C ATOM 686 O LEU A 51 -2.868 6.659 10.119 1.00 0.00 O ATOM 687 CB LEU A 51 -2.493 8.672 12.738 1.00 0.00 C ATOM 688 CG LEU A 51 -2.829 9.701 13.846 1.00 0.00 C ATOM 689 CD1 LEU A 51 -2.670 11.134 13.308 1.00 0.00 C ATOM 690 CD2 LEU A 51 -4.189 9.494 14.535 1.00 0.00 C ATOM 0 H LEU A 51 -4.140 6.827 13.094 1.00 0.00 H new ATOM 0 HA LEU A 51 -4.220 9.187 11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.165 7.753 13.224 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.643 9.055 12.173 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.103 9.531 14.641 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.909 11.847 14.097 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.642 11.287 12.979 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.346 11.284 12.466 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.333 10.263 15.294 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.986 9.562 13.795 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.213 8.511 15.005 1.00 0.00 H new ATOM 702 N GLY A 52 -2.712 8.827 9.498 1.00 0.00 N ATOM 703 CA GLY A 52 -2.542 8.512 8.089 1.00 0.00 C ATOM 704 C GLY A 52 -1.213 7.925 7.806 1.00 0.00 C ATOM 705 O GLY A 52 -1.102 6.892 7.173 1.00 0.00 O ATOM 0 H GLY A 52 -2.602 9.814 9.730 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.320 7.815 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.671 9.418 7.497 1.00 0.00 H new ATOM 709 N LYS A 53 -0.140 8.514 8.388 1.00 0.00 N ATOM 710 CA LYS A 53 1.271 8.104 8.337 1.00 0.00 C ATOM 711 C LYS A 53 1.586 6.698 8.933 1.00 0.00 C ATOM 712 O LYS A 53 2.739 6.316 9.093 1.00 0.00 O ATOM 713 CB LYS A 53 2.129 9.192 9.059 1.00 0.00 C ATOM 714 CG LYS A 53 2.289 9.137 10.606 1.00 0.00 C ATOM 715 CD LYS A 53 1.007 9.073 11.463 1.00 0.00 C ATOM 716 CE LYS A 53 1.254 8.512 12.878 1.00 0.00 C ATOM 717 NZ LYS A 53 2.128 9.405 13.671 1.00 0.00 N ATOM 0 H LYS A 53 -0.257 9.357 8.950 1.00 0.00 H new ATOM 0 HA LYS A 53 1.522 8.016 7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 53 3.129 9.161 8.626 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.703 10.164 8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.897 8.266 10.848 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.854 10.016 10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.581 10.073 11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.269 8.452 10.956 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.301 8.384 13.391 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.711 7.525 12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.274 8.998 14.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.046 9.507 13.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.680 10.339 13.761 1.00 0.00 H new ATOM 731 N ASP A 54 0.491 5.957 9.237 1.00 0.00 N ATOM 732 CA ASP A 54 0.254 4.613 9.676 1.00 0.00 C ATOM 733 C ASP A 54 -0.599 3.964 8.586 1.00 0.00 C ATOM 734 O ASP A 54 -0.120 3.202 7.763 1.00 0.00 O ATOM 735 CB ASP A 54 -0.483 4.487 11.050 1.00 0.00 C ATOM 736 CG ASP A 54 0.371 5.029 12.195 1.00 0.00 C ATOM 737 OD1 ASP A 54 1.618 4.843 12.161 1.00 0.00 O ATOM 738 OD2 ASP A 54 -0.224 5.621 13.136 1.00 0.00 O ATOM 0 H ASP A 54 -0.414 6.419 9.149 1.00 0.00 H new ATOM 0 HA ASP A 54 1.219 4.130 9.833 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.427 5.031 11.009 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.726 3.441 11.239 1.00 0.00 H new ATOM 743 N ILE A 55 -1.929 4.206 8.500 1.00 0.00 N ATOM 744 CA ILE A 55 -2.753 3.566 7.450 1.00 0.00 C ATOM 745 C ILE A 55 -3.352 4.642 6.521 1.00 0.00 C ATOM 746 O ILE A 55 -4.313 5.334 6.859 1.00 0.00 O ATOM 747 CB ILE A 55 -3.789 2.585 8.021 1.00 0.00 C ATOM 748 CG1 ILE A 55 -3.436 1.984 9.424 1.00 0.00 C ATOM 749 CG2 ILE A 55 -4.078 1.487 6.978 1.00 0.00 C ATOM 750 CD1 ILE A 55 -2.256 1.012 9.531 1.00 0.00 C ATOM 0 H ILE A 55 -2.443 4.824 9.128 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.106 2.937 6.838 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.692 3.165 8.214 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.242 2.816 10.101 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.322 1.470 9.796 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.813 0.789 7.379 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.469 1.943 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.157 0.952 6.748 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.144 0.688 10.566 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.440 0.145 8.897 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.343 1.511 9.206 1.00 0.00 H new ATOM 762 N LEU A 56 -2.734 4.815 5.320 1.00 0.00 N ATOM 763 CA LEU A 56 -2.991 5.900 4.354 1.00 0.00 C ATOM 764 C LEU A 56 -3.146 5.552 2.932 1.00 0.00 C ATOM 765 O LEU A 56 -2.611 4.556 2.462 1.00 0.00 O ATOM 766 CB LEU A 56 -1.966 7.056 4.297 1.00 0.00 C ATOM 767 CG LEU A 56 -0.488 6.674 4.056 1.00 0.00 C ATOM 768 CD1 LEU A 56 -0.074 6.370 2.584 1.00 0.00 C ATOM 769 CD2 LEU A 56 0.307 7.867 4.573 1.00 0.00 C ATOM 0 H LEU A 56 -2.014 4.171 4.993 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.940 6.191 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -2.272 7.741 3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.024 7.607 5.236 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.297 5.729 4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.985 6.116 2.549 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.661 5.533 2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.257 7.249 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.372 7.679 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.024 8.761 4.018 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.094 8.015 5.632 1.00 0.00 H new ATOM 781 N LEU A 57 -3.779 6.518 2.205 1.00 0.00 N ATOM 782 CA LEU A 57 -3.904 6.797 0.791 1.00 0.00 C ATOM 783 C LEU A 57 -2.531 6.873 0.046 1.00 0.00 C ATOM 784 O LEU A 57 -1.718 7.778 0.047 1.00 0.00 O ATOM 785 CB LEU A 57 -4.793 8.094 0.757 1.00 0.00 C ATOM 786 CG LEU A 57 -4.154 9.502 0.833 1.00 0.00 C ATOM 787 CD1 LEU A 57 -5.333 10.456 1.098 1.00 0.00 C ATOM 788 CD2 LEU A 57 -3.008 9.760 1.833 1.00 0.00 C ATOM 0 H LEU A 57 -4.296 7.230 2.720 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.375 5.994 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.376 8.057 -0.163 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -5.499 8.019 1.584 1.00 0.00 H new ATOM 0 HG LEU A 57 -3.623 9.651 -0.107 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.965 11.480 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.051 10.382 0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.819 10.182 2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.681 10.797 1.752 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.360 9.569 2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.173 9.097 1.608 1.00 0.00 H new ATOM 800 N CYS A 58 -2.227 5.808 -0.661 1.00 0.00 N ATOM 801 CA CYS A 58 -1.051 5.426 -1.330 1.00 0.00 C ATOM 802 C CYS A 58 -1.438 5.205 -2.801 1.00 0.00 C ATOM 803 O CYS A 58 -2.584 5.237 -3.225 1.00 0.00 O ATOM 804 CB CYS A 58 -0.714 4.115 -0.571 1.00 0.00 C ATOM 805 SG CYS A 58 1.025 3.847 -0.286 1.00 0.00 S ATOM 0 H CYS A 58 -2.937 5.086 -0.784 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.209 6.119 -1.338 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.229 4.125 0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.110 3.271 -1.136 1.00 0.00 H new ATOM 0 HG CYS A 58 1.687 4.095 -1.377 1.00 0.00 H new ATOM 811 N ASP A 59 -0.453 4.926 -3.640 1.00 0.00 N ATOM 812 CA ASP A 59 -0.592 4.438 -5.028 1.00 0.00 C ATOM 813 C ASP A 59 -0.832 2.896 -5.080 1.00 0.00 C ATOM 814 O ASP A 59 -1.716 2.515 -5.846 1.00 0.00 O ATOM 815 CB ASP A 59 0.555 4.876 -6.029 1.00 0.00 C ATOM 816 CG ASP A 59 0.005 5.433 -7.354 1.00 0.00 C ATOM 817 OD1 ASP A 59 -1.106 5.027 -7.785 1.00 0.00 O ATOM 818 OD2 ASP A 59 0.706 6.300 -7.945 1.00 0.00 O ATOM 0 H ASP A 59 0.524 5.036 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 59 -1.482 4.948 -5.395 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.178 5.632 -5.552 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.196 4.020 -6.238 1.00 0.00 H new ATOM 823 N PRO A 60 -0.180 1.959 -4.300 1.00 0.00 N ATOM 824 CA PRO A 60 0.741 2.172 -3.184 1.00 0.00 C ATOM 825 C PRO A 60 2.005 2.865 -3.530 1.00 0.00 C ATOM 826 O PRO A 60 2.125 4.020 -3.131 1.00 0.00 O ATOM 827 CB PRO A 60 0.982 0.829 -2.472 1.00 0.00 C ATOM 828 CG PRO A 60 0.371 -0.211 -3.408 1.00 0.00 C ATOM 829 CD PRO A 60 -0.526 0.547 -4.411 1.00 0.00 C ATOM 0 HA PRO A 60 0.258 2.874 -2.504 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.045 0.647 -2.316 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.507 0.808 -1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 60 1.152 -0.763 -3.931 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -0.212 -0.940 -2.845 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.361 0.187 -5.426 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -1.580 0.388 -4.184 1.00 0.00 H new ATOM 837 N ILE A 61 2.961 2.226 -4.194 1.00 0.00 N ATOM 838 CA ILE A 61 4.252 2.813 -4.386 1.00 0.00 C ATOM 839 C ILE A 61 4.516 3.051 -5.872 1.00 0.00 C ATOM 840 O ILE A 61 3.846 2.458 -6.722 1.00 0.00 O ATOM 841 CB ILE A 61 5.211 2.047 -3.479 1.00 0.00 C ATOM 842 CG1 ILE A 61 5.901 2.918 -2.422 1.00 0.00 C ATOM 843 CG2 ILE A 61 6.376 1.431 -4.210 1.00 0.00 C ATOM 844 CD1 ILE A 61 5.023 3.863 -1.632 1.00 0.00 C ATOM 0 H ILE A 61 2.851 1.299 -4.604 1.00 0.00 H new ATOM 0 HA ILE A 61 4.389 3.842 -4.054 1.00 0.00 H new ATOM 0 HB ILE A 61 4.544 1.305 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 61 6.408 2.258 -1.718 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.672 3.507 -2.919 1.00 0.00 H new ATOM 0 HG21 ILE A 61 7.013 0.904 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 61 6.006 0.729 -4.957 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.952 2.215 -4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.634 4.418 -0.920 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.534 4.560 -2.313 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.267 3.292 -1.093 1.00 0.00 H new ATOM 856 N PRO A 62 5.481 3.952 -6.219 1.00 0.00 N ATOM 857 CA PRO A 62 5.693 4.547 -7.544 1.00 0.00 C ATOM 858 C PRO A 62 5.998 3.527 -8.629 1.00 0.00 C ATOM 859 O PRO A 62 6.900 2.723 -8.472 1.00 0.00 O ATOM 860 CB PRO A 62 6.830 5.575 -7.295 1.00 0.00 C ATOM 861 CG PRO A 62 6.623 5.945 -5.837 1.00 0.00 C ATOM 862 CD PRO A 62 6.325 4.625 -5.233 1.00 0.00 C ATOM 0 HA PRO A 62 4.795 5.019 -7.942 1.00 0.00 H new ATOM 0 HB2 PRO A 62 7.815 5.141 -7.468 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.744 6.442 -7.950 1.00 0.00 H new ATOM 0 HG2 PRO A 62 7.510 6.404 -5.401 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.802 6.650 -5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 62 7.238 4.061 -5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.811 4.733 -4.278 1.00 0.00 H new ATOM 870 N LEU A 63 5.232 3.533 -9.724 1.00 0.00 N ATOM 871 CA LEU A 63 5.096 2.703 -10.927 1.00 0.00 C ATOM 872 C LEU A 63 6.270 2.105 -11.707 1.00 0.00 C ATOM 873 O LEU A 63 6.187 1.718 -12.870 1.00 0.00 O ATOM 874 CB LEU A 63 3.919 3.303 -11.702 1.00 0.00 C ATOM 875 CG LEU A 63 2.663 3.230 -10.790 1.00 0.00 C ATOM 876 CD1 LEU A 63 2.035 4.589 -10.429 1.00 0.00 C ATOM 877 CD2 LEU A 63 1.698 2.217 -11.393 1.00 0.00 C ATOM 0 H LEU A 63 4.548 4.286 -9.794 1.00 0.00 H new ATOM 0 HA LEU A 63 4.932 1.684 -10.575 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.131 4.336 -11.979 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.751 2.753 -12.628 1.00 0.00 H new ATOM 0 HG LEU A 63 2.970 2.881 -9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.166 4.430 -9.791 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.767 5.199 -9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.727 5.101 -11.341 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.807 2.148 -10.769 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.415 2.536 -12.396 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.181 1.241 -11.445 1.00 0.00 H new ATOM 889 N ASP A 64 7.418 2.134 -11.040 1.00 0.00 N ATOM 890 CA ASP A 64 8.763 1.768 -11.420 1.00 0.00 C ATOM 891 C ASP A 64 9.573 1.362 -10.181 1.00 0.00 C ATOM 892 O ASP A 64 10.777 1.607 -10.119 1.00 0.00 O ATOM 893 CB ASP A 64 9.348 3.140 -11.840 1.00 0.00 C ATOM 894 CG ASP A 64 9.002 3.478 -13.291 1.00 0.00 C ATOM 895 OD1 ASP A 64 9.454 2.725 -14.195 1.00 0.00 O ATOM 896 OD2 ASP A 64 8.284 4.489 -13.513 1.00 0.00 O ATOM 0 H ASP A 64 7.415 2.467 -10.076 1.00 0.00 H new ATOM 0 HA ASP A 64 8.787 0.964 -12.155 1.00 0.00 H new ATOM 0 HB2 ASP A 64 8.961 3.918 -11.182 1.00 0.00 H new ATOM 0 HB3 ASP A 64 10.431 3.128 -11.717 1.00 0.00 H new ATOM 901 N THR A 65 8.926 0.870 -9.095 1.00 0.00 N ATOM 902 CA THR A 65 9.517 0.750 -7.780 1.00 0.00 C ATOM 903 C THR A 65 9.650 -0.619 -7.312 1.00 0.00 C ATOM 904 O THR A 65 8.730 -1.408 -7.265 1.00 0.00 O ATOM 905 CB THR A 65 8.905 1.601 -6.664 1.00 0.00 C ATOM 906 OG1 THR A 65 8.978 2.956 -7.040 1.00 0.00 O ATOM 907 CG2 THR A 65 9.608 1.540 -5.297 1.00 0.00 C ATOM 0 H THR A 65 7.960 0.545 -9.132 1.00 0.00 H new ATOM 0 HA THR A 65 10.504 1.168 -7.976 1.00 0.00 H new ATOM 0 HB THR A 65 7.900 1.195 -6.545 1.00 0.00 H new ATOM 0 HG1 THR A 65 8.490 3.089 -7.879 1.00 0.00 H new ATOM 0 HG21 THR A 65 9.084 2.183 -4.589 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.600 0.514 -4.929 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.638 1.880 -5.402 1.00 0.00 H new ATOM 915 N GLU A 66 10.823 -0.877 -6.779 1.00 0.00 N ATOM 916 CA GLU A 66 11.241 -2.063 -6.070 1.00 0.00 C ATOM 917 C GLU A 66 10.414 -2.299 -4.787 1.00 0.00 C ATOM 918 O GLU A 66 10.695 -1.866 -3.686 1.00 0.00 O ATOM 919 CB GLU A 66 12.743 -1.797 -5.759 1.00 0.00 C ATOM 920 CG GLU A 66 13.505 -2.877 -4.974 1.00 0.00 C ATOM 921 CD GLU A 66 14.995 -2.545 -4.842 1.00 0.00 C ATOM 922 OE1 GLU A 66 15.427 -1.461 -5.317 1.00 0.00 O ATOM 923 OE2 GLU A 66 15.723 -3.388 -4.252 1.00 0.00 O ATOM 0 H GLU A 66 11.580 -0.195 -6.837 1.00 0.00 H new ATOM 0 HA GLU A 66 11.090 -2.971 -6.653 1.00 0.00 H new ATOM 0 HB2 GLU A 66 13.260 -1.641 -6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 66 12.811 -0.863 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 66 13.067 -2.981 -3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 66 13.390 -3.838 -5.475 1.00 0.00 H new ATOM 930 N VAL A 67 9.354 -3.102 -4.904 1.00 0.00 N ATOM 931 CA VAL A 67 8.446 -3.443 -3.805 1.00 0.00 C ATOM 932 C VAL A 67 8.600 -4.882 -3.483 1.00 0.00 C ATOM 933 O VAL A 67 9.152 -5.640 -4.263 1.00 0.00 O ATOM 934 CB VAL A 67 6.972 -3.088 -3.955 1.00 0.00 C ATOM 935 CG1 VAL A 67 6.707 -1.826 -3.111 1.00 0.00 C ATOM 936 CG2 VAL A 67 6.579 -2.985 -5.425 1.00 0.00 C ATOM 0 H VAL A 67 9.097 -3.544 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 67 8.761 -2.791 -2.990 1.00 0.00 H new ATOM 0 HB VAL A 67 6.323 -3.876 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.657 -1.545 -3.197 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.944 -2.030 -2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.332 -1.009 -3.472 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.522 -2.731 -5.502 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.175 -2.210 -5.907 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.759 -3.941 -5.918 1.00 0.00 H new ATOM 946 N THR A 68 8.120 -5.292 -2.290 1.00 0.00 N ATOM 947 CA THR A 68 8.372 -6.636 -1.749 1.00 0.00 C ATOM 948 C THR A 68 7.223 -7.549 -2.081 1.00 0.00 C ATOM 949 O THR A 68 6.064 -7.178 -1.965 1.00 0.00 O ATOM 950 CB THR A 68 8.816 -6.601 -0.278 1.00 0.00 C ATOM 951 OG1 THR A 68 8.871 -7.861 0.404 1.00 0.00 O ATOM 952 CG2 THR A 68 7.827 -5.693 0.423 1.00 0.00 C ATOM 0 H THR A 68 7.552 -4.703 -1.682 1.00 0.00 H new ATOM 0 HA THR A 68 9.237 -7.078 -2.243 1.00 0.00 H new ATOM 0 HB THR A 68 9.850 -6.255 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 68 9.166 -7.720 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 68 8.084 -5.622 1.480 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.862 -4.701 -0.027 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.822 -6.102 0.321 1.00 0.00 H new ATOM 960 N ALA A 69 7.525 -8.770 -2.541 1.00 0.00 N ATOM 961 CA ALA A 69 6.533 -9.742 -2.918 1.00 0.00 C ATOM 962 C ALA A 69 6.370 -10.765 -1.809 1.00 0.00 C ATOM 963 O ALA A 69 7.351 -11.173 -1.187 1.00 0.00 O ATOM 964 CB ALA A 69 7.073 -10.337 -4.214 1.00 0.00 C ATOM 0 H ALA A 69 8.483 -9.099 -2.657 1.00 0.00 H new ATOM 0 HA ALA A 69 5.536 -9.328 -3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 69 6.381 -11.094 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 69 7.180 -9.549 -4.959 1.00 0.00 H new ATOM 0 HB3 ALA A 69 8.045 -10.794 -4.027 1.00 0.00 H new ATOM 970 N LEU A 70 5.117 -11.178 -1.508 1.00 0.00 N ATOM 971 CA LEU A 70 4.797 -12.063 -0.388 1.00 0.00 C ATOM 972 C LEU A 70 5.254 -13.531 -0.449 1.00 0.00 C ATOM 973 O LEU A 70 4.811 -14.407 -1.192 1.00 0.00 O ATOM 974 CB LEU A 70 3.312 -11.973 -0.026 1.00 0.00 C ATOM 975 CG LEU A 70 2.908 -12.087 1.472 1.00 0.00 C ATOM 976 CD1 LEU A 70 3.295 -13.373 2.210 1.00 0.00 C ATOM 977 CD2 LEU A 70 3.387 -10.883 2.294 1.00 0.00 C ATOM 0 H LEU A 70 4.298 -10.897 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 70 5.429 -11.659 0.403 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.936 -11.021 -0.400 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.789 -12.758 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 70 1.821 -12.112 1.400 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.952 -13.317 3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.830 -14.228 1.719 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.379 -13.490 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.082 -11.007 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.474 -10.815 2.241 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.946 -9.970 1.893 1.00 0.00 H new ATOM 989 N SER A 71 6.226 -13.746 0.434 1.00 0.00 N ATOM 990 CA SER A 71 6.904 -14.915 0.918 1.00 0.00 C ATOM 991 C SER A 71 7.012 -14.590 2.384 1.00 0.00 C ATOM 992 O SER A 71 6.757 -13.456 2.771 1.00 0.00 O ATOM 993 CB SER A 71 8.252 -15.199 0.232 1.00 0.00 C ATOM 994 OG SER A 71 7.983 -15.775 -1.039 1.00 0.00 O ATOM 0 H SER A 71 6.617 -12.931 0.906 1.00 0.00 H new ATOM 0 HA SER A 71 6.380 -15.847 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 71 8.824 -14.278 0.120 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.853 -15.876 0.838 1.00 0.00 H new ATOM 0 HG SER A 71 8.828 -15.964 -1.498 1.00 0.00 H new ATOM 1063 N PHE A 76 10.730 -12.688 2.452 1.00 0.00 N ATOM 1064 CA PHE A 76 10.109 -11.776 1.435 1.00 0.00 C ATOM 1065 C PHE A 76 11.012 -10.660 0.854 1.00 0.00 C ATOM 1066 O PHE A 76 11.807 -10.015 1.539 1.00 0.00 O ATOM 1067 CB PHE A 76 8.739 -11.125 1.818 1.00 0.00 C ATOM 1068 CG PHE A 76 8.571 -10.472 3.175 1.00 0.00 C ATOM 1069 CD1 PHE A 76 9.592 -9.954 3.954 1.00 0.00 C ATOM 1070 CD2 PHE A 76 7.274 -10.331 3.636 1.00 0.00 C ATOM 1071 CE1 PHE A 76 9.311 -9.291 5.132 1.00 0.00 C ATOM 1072 CE2 PHE A 76 6.992 -9.701 4.829 1.00 0.00 C ATOM 1073 CZ PHE A 76 8.015 -9.164 5.580 1.00 0.00 C ATOM 0 HA PHE A 76 9.938 -12.524 0.661 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.515 -10.371 1.064 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.976 -11.898 1.732 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.618 -10.070 3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.461 -10.725 3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 76 10.118 -8.866 5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.971 -9.628 5.175 1.00 0.00 H new ATOM 0 HZ PHE A 76 7.803 -8.651 6.507 1.00 0.00 H new ATOM 1083 N SER A 77 10.968 -10.602 -0.502 1.00 0.00 N ATOM 1084 CA SER A 77 12.004 -9.928 -1.291 1.00 0.00 C ATOM 1085 C SER A 77 11.404 -9.165 -2.450 1.00 0.00 C ATOM 1086 O SER A 77 10.259 -9.401 -2.836 1.00 0.00 O ATOM 1087 CB SER A 77 13.094 -10.938 -1.788 1.00 0.00 C ATOM 1088 OG SER A 77 13.903 -11.427 -0.712 1.00 0.00 O ATOM 0 H SER A 77 10.222 -11.017 -1.061 1.00 0.00 H new ATOM 0 HA SER A 77 12.494 -9.208 -0.635 1.00 0.00 H new ATOM 0 HB2 SER A 77 12.610 -11.777 -2.288 1.00 0.00 H new ATOM 0 HB3 SER A 77 13.730 -10.451 -2.527 1.00 0.00 H new ATOM 0 HG SER A 77 14.569 -12.055 -1.063 1.00 0.00 H new ATOM 1094 N ALA A 78 12.160 -8.179 -3.014 1.00 0.00 N ATOM 1095 CA ALA A 78 11.703 -7.243 -4.044 1.00 0.00 C ATOM 1096 C ALA A 78 11.676 -7.649 -5.520 1.00 0.00 C ATOM 1097 O ALA A 78 12.400 -8.519 -6.002 1.00 0.00 O ATOM 1098 CB ALA A 78 12.274 -5.803 -3.821 1.00 0.00 C ATOM 0 H ALA A 78 13.131 -8.022 -2.745 1.00 0.00 H new ATOM 0 HA ALA A 78 10.630 -7.269 -3.851 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.910 -5.141 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.947 -5.428 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 78 13.363 -5.835 -3.849 1.00 0.00 H new ATOM 1104 N GLY A 79 10.761 -6.964 -6.242 1.00 0.00 N ATOM 1105 CA GLY A 79 10.452 -7.010 -7.659 1.00 0.00 C ATOM 1106 C GLY A 79 9.916 -5.653 -7.913 1.00 0.00 C ATOM 1107 O GLY A 79 10.073 -4.775 -7.084 1.00 0.00 O ATOM 0 H GLY A 79 10.158 -6.289 -5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 79 11.337 -7.216 -8.261 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.721 -7.785 -7.890 1.00 0.00 H new ATOM 1111 N VAL A 80 9.286 -5.375 -9.057 1.00 0.00 N ATOM 1112 CA VAL A 80 8.893 -4.021 -9.380 1.00 0.00 C ATOM 1113 C VAL A 80 7.418 -3.879 -9.413 1.00 0.00 C ATOM 1114 O VAL A 80 6.759 -4.664 -10.075 1.00 0.00 O ATOM 1115 CB VAL A 80 9.520 -3.733 -10.753 1.00 0.00 C ATOM 1116 CG1 VAL A 80 8.956 -2.530 -11.539 1.00 0.00 C ATOM 1117 CG2 VAL A 80 11.007 -3.489 -10.492 1.00 0.00 C ATOM 0 H VAL A 80 9.043 -6.070 -9.763 1.00 0.00 H new ATOM 0 HA VAL A 80 9.236 -3.311 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 80 9.293 -4.591 -11.386 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.483 -2.436 -12.488 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.894 -2.684 -11.728 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.092 -1.619 -10.957 1.00 0.00 H new ATOM 0 HG21 VAL A 80 11.512 -3.277 -11.435 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.124 -2.639 -9.819 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.447 -4.376 -10.036 1.00 0.00 H new ATOM 1127 N VAL A 81 6.846 -2.800 -8.801 1.00 0.00 N ATOM 1128 CA VAL A 81 5.498 -2.339 -9.137 1.00 0.00 C ATOM 1129 C VAL A 81 5.596 -1.578 -10.457 1.00 0.00 C ATOM 1130 O VAL A 81 6.497 -0.744 -10.605 1.00 0.00 O ATOM 1131 CB VAL A 81 4.922 -1.364 -8.086 1.00 0.00 C ATOM 1132 CG1 VAL A 81 5.718 -0.047 -7.930 1.00 0.00 C ATOM 1133 CG2 VAL A 81 3.477 -0.958 -8.388 1.00 0.00 C ATOM 0 H VAL A 81 7.309 -2.248 -8.079 1.00 0.00 H new ATOM 0 HA VAL A 81 4.844 -3.209 -9.185 1.00 0.00 H new ATOM 0 HB VAL A 81 4.989 -1.941 -7.164 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.244 0.577 -7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.740 -0.273 -7.626 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.732 0.485 -8.881 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.123 -0.273 -7.618 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.433 -0.466 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.845 -1.846 -8.402 1.00 0.00 H new ATOM 1143 N LYS A 82 4.711 -1.910 -11.434 1.00 0.00 N ATOM 1144 CA LYS A 82 4.739 -1.300 -12.753 1.00 0.00 C ATOM 1145 C LYS A 82 3.435 -0.617 -13.125 1.00 0.00 C ATOM 1146 O LYS A 82 3.407 0.397 -13.818 1.00 0.00 O ATOM 1147 CB LYS A 82 5.034 -2.416 -13.787 1.00 0.00 C ATOM 1148 CG LYS A 82 5.278 -1.988 -15.248 1.00 0.00 C ATOM 1149 CD LYS A 82 6.413 -0.970 -15.454 1.00 0.00 C ATOM 1150 CE LYS A 82 7.798 -1.487 -15.042 1.00 0.00 C ATOM 1151 NZ LYS A 82 8.839 -0.457 -15.268 1.00 0.00 N ATOM 0 H LYS A 82 3.972 -2.603 -11.313 1.00 0.00 H new ATOM 0 HA LYS A 82 5.508 -0.528 -12.748 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.911 -2.966 -13.447 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.197 -3.114 -13.777 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.499 -2.878 -15.838 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.355 -1.564 -15.644 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.442 -0.681 -16.505 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.188 -0.070 -14.882 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.786 -1.772 -13.990 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.039 -2.384 -15.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.766 -0.832 -14.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.864 -0.204 -16.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.618 0.389 -14.705 1.00 0.00 H new ATOM 1165 N GLY A 83 2.285 -1.203 -12.718 1.00 0.00 N ATOM 1166 CA GLY A 83 0.957 -0.737 -13.121 1.00 0.00 C ATOM 1167 C GLY A 83 -0.100 -1.309 -12.219 1.00 0.00 C ATOM 1168 O GLY A 83 0.019 -2.448 -11.768 1.00 0.00 O ATOM 0 H GLY A 83 2.263 -2.014 -12.099 1.00 0.00 H new ATOM 0 HA2 GLY A 83 0.922 0.352 -13.087 1.00 0.00 H new ATOM 0 HA3 GLY A 83 0.760 -1.030 -14.152 1.00 0.00 H new ATOM 1172 N HIS A 84 -1.197 -0.557 -11.926 1.00 0.00 N ATOM 1173 CA HIS A 84 -2.278 -1.065 -11.083 1.00 0.00 C ATOM 1174 C HIS A 84 -3.680 -0.586 -11.375 1.00 0.00 C ATOM 1175 O HIS A 84 -3.923 0.480 -11.946 1.00 0.00 O ATOM 1176 CB HIS A 84 -1.955 -1.077 -9.555 1.00 0.00 C ATOM 1177 CG HIS A 84 -1.112 0.070 -9.047 1.00 0.00 C ATOM 1178 ND1 HIS A 84 0.150 -0.009 -8.549 1.00 0.00 N flip ATOM 1179 CD2 HIS A 84 -1.430 1.413 -9.037 1.00 0.00 C flip ATOM 1180 CE1 HIS A 84 0.639 1.249 -8.248 1.00 0.00 C flip ATOM 1181 NE2 HIS A 84 -0.341 2.070 -8.557 1.00 0.00 N flip ATOM 0 H HIS A 84 -1.341 0.394 -12.266 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.306 -2.104 -11.412 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.896 -1.082 -9.005 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.443 -2.010 -9.319 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -2.364 1.856 -9.350 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.610 1.501 -7.848 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.290 3.083 -8.449 1.00 0.00 H new ATOM 1302 N TYR A 92 -5.678 -5.717 -8.617 1.00 0.00 N ATOM 1303 CA TYR A 92 -4.418 -6.372 -8.975 1.00 0.00 C ATOM 1304 C TYR A 92 -3.370 -5.411 -9.434 1.00 0.00 C ATOM 1305 O TYR A 92 -3.634 -4.497 -10.214 1.00 0.00 O ATOM 1306 CB TYR A 92 -4.465 -7.735 -9.753 1.00 0.00 C ATOM 1307 CG TYR A 92 -5.597 -7.891 -10.728 1.00 0.00 C ATOM 1308 CD1 TYR A 92 -5.493 -7.402 -12.010 1.00 0.00 C ATOM 1309 CD2 TYR A 92 -6.723 -8.620 -10.392 1.00 0.00 C ATOM 1310 CE1 TYR A 92 -6.445 -7.680 -12.967 1.00 0.00 C ATOM 1311 CE2 TYR A 92 -7.722 -8.835 -11.320 1.00 0.00 C ATOM 1312 CZ TYR A 92 -7.589 -8.366 -12.609 1.00 0.00 C ATOM 1313 OH TYR A 92 -8.641 -8.581 -13.524 1.00 0.00 O ATOM 0 HA TYR A 92 -4.091 -6.757 -8.009 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -3.526 -7.856 -10.293 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -4.522 -8.545 -9.026 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -4.646 -6.786 -12.272 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.822 -9.024 -9.395 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.298 -7.364 -13.989 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -8.613 -9.374 -11.034 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.358 -9.084 -13.085 1.00 0.00 H new ATOM 1323 N TYR A 93 -2.117 -5.640 -8.972 1.00 0.00 N ATOM 1324 CA TYR A 93 -0.950 -4.939 -9.464 1.00 0.00 C ATOM 1325 C TYR A 93 -0.257 -5.906 -10.410 1.00 0.00 C ATOM 1326 O TYR A 93 -0.239 -7.116 -10.171 1.00 0.00 O ATOM 1327 CB TYR A 93 0.144 -4.481 -8.445 1.00 0.00 C ATOM 1328 CG TYR A 93 -0.190 -3.731 -7.182 1.00 0.00 C ATOM 1329 CD1 TYR A 93 -1.435 -3.668 -6.574 1.00 0.00 C ATOM 1330 CD2 TYR A 93 0.925 -3.322 -6.462 1.00 0.00 C ATOM 1331 CE1 TYR A 93 -1.486 -3.506 -5.195 1.00 0.00 C ATOM 1332 CE2 TYR A 93 0.874 -3.190 -5.099 1.00 0.00 C ATOM 1333 CZ TYR A 93 -0.318 -3.384 -4.461 1.00 0.00 C ATOM 1334 OH TYR A 93 -0.269 -3.525 -3.061 1.00 0.00 O ATOM 0 H TYR A 93 -1.907 -6.323 -8.244 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.342 -4.010 -9.878 1.00 0.00 H new ATOM 0 HB2 TYR A 93 0.683 -5.379 -8.142 1.00 0.00 H new ATOM 0 HB3 TYR A 93 0.847 -3.860 -9.000 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.341 -3.743 -7.157 1.00 0.00 H new ATOM 0 HD2 TYR A 93 1.845 -3.105 -6.984 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.442 -3.475 -4.693 1.00 0.00 H new ATOM 0 HE2 TYR A 93 1.762 -2.937 -4.538 1.00 0.00 H new ATOM 0 HH TYR A 93 0.481 -4.107 -2.817 1.00 0.00 H new ATOM 1344 N SER A 94 0.391 -5.363 -11.477 1.00 0.00 N ATOM 1345 CA SER A 94 1.248 -6.086 -12.401 1.00 0.00 C ATOM 1346 C SER A 94 2.660 -5.868 -11.880 1.00 0.00 C ATOM 1347 O SER A 94 3.266 -4.797 -12.027 1.00 0.00 O ATOM 1348 CB SER A 94 1.062 -5.692 -13.899 1.00 0.00 C ATOM 1349 OG SER A 94 1.002 -4.282 -14.130 1.00 0.00 O ATOM 0 H SER A 94 0.315 -4.372 -11.708 1.00 0.00 H new ATOM 0 HA SER A 94 0.988 -7.144 -12.423 1.00 0.00 H new ATOM 0 HB2 SER A 94 1.886 -6.109 -14.478 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.146 -6.150 -14.273 1.00 0.00 H new ATOM 0 HG SER A 94 0.886 -4.112 -15.088 1.00 0.00 H new ATOM 1355 N ILE A 95 3.117 -6.918 -11.149 1.00 0.00 N ATOM 1356 CA ILE A 95 4.352 -7.005 -10.391 1.00 0.00 C ATOM 1357 C ILE A 95 5.377 -7.669 -11.232 1.00 0.00 C ATOM 1358 O ILE A 95 5.232 -8.837 -11.594 1.00 0.00 O ATOM 1359 CB ILE A 95 4.084 -7.779 -9.114 1.00 0.00 C ATOM 1360 CG1 ILE A 95 2.991 -7.003 -8.353 1.00 0.00 C ATOM 1361 CG2 ILE A 95 5.365 -8.020 -8.269 1.00 0.00 C ATOM 1362 CD1 ILE A 95 3.365 -5.542 -8.060 1.00 0.00 C ATOM 0 H ILE A 95 2.577 -7.781 -11.082 1.00 0.00 H new ATOM 0 HA ILE A 95 4.722 -6.017 -10.119 1.00 0.00 H new ATOM 0 HB ILE A 95 3.741 -8.788 -9.344 1.00 0.00 H new ATOM 0 HG12 ILE A 95 2.070 -7.024 -8.936 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.784 -7.512 -7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.107 -8.578 -7.369 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.086 -8.590 -8.855 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.802 -7.061 -7.989 1.00 0.00 H new ATOM 0 HD11 ILE A 95 2.549 -5.058 -7.523 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.268 -5.513 -7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 95 3.543 -5.017 -8.998 1.00 0.00 H new ATOM 1374 N GLU A 96 6.461 -6.939 -11.590 1.00 0.00 N ATOM 1375 CA GLU A 96 7.464 -7.474 -12.516 1.00 0.00 C ATOM 1376 C GLU A 96 8.551 -8.170 -11.714 1.00 0.00 C ATOM 1377 O GLU A 96 9.284 -7.549 -10.948 1.00 0.00 O ATOM 1378 CB GLU A 96 7.928 -6.364 -13.487 1.00 0.00 C ATOM 1379 CG GLU A 96 8.951 -6.806 -14.547 1.00 0.00 C ATOM 1380 CD GLU A 96 9.266 -5.622 -15.459 1.00 0.00 C ATOM 1381 OE1 GLU A 96 9.804 -4.605 -14.944 1.00 0.00 O ATOM 1382 OE2 GLU A 96 8.974 -5.717 -16.682 1.00 0.00 O ATOM 0 H GLU A 96 6.653 -5.995 -11.254 1.00 0.00 H new ATOM 0 HA GLU A 96 7.056 -8.244 -13.171 1.00 0.00 H new ATOM 0 HB2 GLU A 96 7.053 -5.960 -13.996 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.361 -5.551 -12.904 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.861 -7.163 -14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 96 8.553 -7.636 -15.131 1.00 0.00 H new ATOM 1389 N LYS A 97 8.547 -9.521 -11.774 1.00 0.00 N ATOM 1390 CA LYS A 97 9.221 -10.349 -10.795 1.00 0.00 C ATOM 1391 C LYS A 97 9.825 -11.580 -11.389 1.00 0.00 C ATOM 1392 O LYS A 97 9.174 -12.266 -12.174 1.00 0.00 O ATOM 1393 CB LYS A 97 8.075 -10.835 -9.885 1.00 0.00 C ATOM 1394 CG LYS A 97 8.381 -11.891 -8.815 1.00 0.00 C ATOM 1395 CD LYS A 97 7.428 -11.800 -7.619 1.00 0.00 C ATOM 1396 CE LYS A 97 7.560 -12.982 -6.647 1.00 0.00 C ATOM 1397 NZ LYS A 97 8.894 -13.004 -6.004 1.00 0.00 N ATOM 0 H LYS A 97 8.073 -10.049 -12.507 1.00 0.00 H new ATOM 0 HA LYS A 97 10.021 -9.785 -10.315 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.662 -9.962 -9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.289 -11.233 -10.527 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.311 -12.885 -9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.407 -11.768 -8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.620 -10.872 -7.080 1.00 0.00 H new ATOM 0 HD3 LYS A 97 6.402 -11.751 -7.984 1.00 0.00 H new ATOM 0 HE2 LYS A 97 6.786 -12.915 -5.882 1.00 0.00 H new ATOM 0 HE3 LYS A 97 7.397 -13.917 -7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 8.953 -13.813 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.630 -13.092 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.038 -12.122 -5.473 1.00 0.00 H new ATOM 1411 N GLU A 98 11.091 -11.938 -11.044 1.00 0.00 N ATOM 1412 CA GLU A 98 11.807 -13.152 -11.477 1.00 0.00 C ATOM 1413 C GLU A 98 12.084 -13.255 -12.990 1.00 0.00 C ATOM 1414 O GLU A 98 12.666 -14.214 -13.488 1.00 0.00 O ATOM 1415 CB GLU A 98 11.088 -14.433 -10.937 1.00 0.00 C ATOM 1416 CG GLU A 98 11.224 -14.593 -9.415 1.00 0.00 C ATOM 1417 CD GLU A 98 10.385 -15.780 -8.943 1.00 0.00 C ATOM 1418 OE1 GLU A 98 10.682 -16.925 -9.375 1.00 0.00 O ATOM 1419 OE2 GLU A 98 9.435 -15.556 -8.146 1.00 0.00 O ATOM 0 H GLU A 98 11.659 -11.356 -10.428 1.00 0.00 H new ATOM 0 HA GLU A 98 12.799 -13.072 -11.033 1.00 0.00 H new ATOM 0 HB2 GLU A 98 10.031 -14.390 -11.201 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.503 -15.312 -11.429 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.270 -14.746 -9.148 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.897 -13.682 -8.914 1.00 0.00 H new ATOM 1426 N GLY A 99 11.695 -12.181 -13.715 1.00 0.00 N ATOM 1427 CA GLY A 99 11.854 -11.963 -15.146 1.00 0.00 C ATOM 1428 C GLY A 99 10.524 -11.849 -15.835 1.00 0.00 C ATOM 1429 O GLY A 99 10.467 -11.588 -17.031 1.00 0.00 O ATOM 0 H GLY A 99 11.228 -11.392 -13.268 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.432 -11.054 -15.315 1.00 0.00 H new ATOM 0 HA3 GLY A 99 12.421 -12.787 -15.580 1.00 0.00 H new ATOM 1433 N GLN A 100 9.397 -12.055 -15.103 1.00 0.00 N ATOM 1434 CA GLN A 100 8.049 -12.055 -15.655 1.00 0.00 C ATOM 1435 C GLN A 100 7.072 -11.256 -14.825 1.00 0.00 C ATOM 1436 O GLN A 100 7.358 -10.857 -13.706 1.00 0.00 O ATOM 1437 CB GLN A 100 7.577 -13.519 -15.930 1.00 0.00 C ATOM 1438 CG GLN A 100 7.815 -14.582 -14.814 1.00 0.00 C ATOM 1439 CD GLN A 100 6.731 -14.605 -13.732 1.00 0.00 C ATOM 1440 OE1 GLN A 100 5.678 -15.235 -13.880 1.00 0.00 O ATOM 1441 NE2 GLN A 100 6.980 -13.882 -12.606 1.00 0.00 N ATOM 0 H GLN A 100 9.419 -12.227 -14.098 1.00 0.00 H new ATOM 0 HA GLN A 100 8.079 -11.536 -16.613 1.00 0.00 H new ATOM 0 HB2 GLN A 100 6.509 -13.492 -16.144 1.00 0.00 H new ATOM 0 HB3 GLN A 100 8.075 -13.867 -16.835 1.00 0.00 H new ATOM 0 HG2 GLN A 100 7.876 -15.569 -15.274 1.00 0.00 H new ATOM 0 HG3 GLN A 100 8.779 -14.390 -14.343 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.858 -13.372 -12.511 1.00 0.00 H new ATOM 0 HE22 GLN A 100 6.288 -13.850 -11.857 1.00 0.00 H new ATOM 1450 N ARG A 101 5.853 -10.960 -15.342 1.00 0.00 N ATOM 1451 CA ARG A 101 4.868 -10.170 -14.612 1.00 0.00 C ATOM 1452 C ARG A 101 3.781 -10.993 -13.978 1.00 0.00 C ATOM 1453 O ARG A 101 3.138 -11.836 -14.599 1.00 0.00 O ATOM 1454 CB ARG A 101 4.430 -8.869 -15.339 1.00 0.00 C ATOM 1455 CG ARG A 101 3.559 -9.005 -16.597 1.00 0.00 C ATOM 1456 CD ARG A 101 2.056 -9.056 -16.278 1.00 0.00 C ATOM 1457 NE ARG A 101 1.262 -8.953 -17.555 1.00 0.00 N ATOM 1458 CZ ARG A 101 0.852 -7.768 -18.107 1.00 0.00 C ATOM 1459 NH1 ARG A 101 1.147 -6.573 -17.517 1.00 0.00 N ATOM 1460 NH2 ARG A 101 0.125 -7.786 -19.264 1.00 0.00 N ATOM 0 H ARG A 101 5.542 -11.264 -16.265 1.00 0.00 H new ATOM 0 HA ARG A 101 5.391 -9.771 -13.743 1.00 0.00 H new ATOM 0 HB2 ARG A 101 3.888 -8.252 -14.622 1.00 0.00 H new ATOM 0 HB3 ARG A 101 5.331 -8.321 -15.614 1.00 0.00 H new ATOM 0 HG2 ARG A 101 3.756 -8.165 -17.263 1.00 0.00 H new ATOM 0 HG3 ARG A 101 3.843 -9.910 -17.134 1.00 0.00 H new ATOM 0 HD2 ARG A 101 1.815 -9.986 -15.763 1.00 0.00 H new ATOM 0 HD3 ARG A 101 1.789 -8.241 -15.606 1.00 0.00 H new ATOM 0 HE ARG A 101 1.015 -9.817 -18.037 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.682 -6.551 -16.649 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.832 -5.702 -17.944 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -0.107 -8.675 -19.707 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -0.186 -6.910 -19.685 1.00 0.00 H new ATOM 1474 N LYS A 102 3.602 -10.753 -12.662 1.00 0.00 N ATOM 1475 CA LYS A 102 2.632 -11.432 -11.801 1.00 0.00 C ATOM 1476 C LYS A 102 1.457 -10.508 -11.626 1.00 0.00 C ATOM 1477 O LYS A 102 1.628 -9.302 -11.520 1.00 0.00 O ATOM 1478 CB LYS A 102 3.270 -11.877 -10.439 1.00 0.00 C ATOM 1479 CG LYS A 102 3.898 -13.278 -10.624 1.00 0.00 C ATOM 1480 CD LYS A 102 5.095 -13.630 -9.724 1.00 0.00 C ATOM 1481 CE LYS A 102 5.443 -15.130 -9.709 1.00 0.00 C ATOM 1482 NZ LYS A 102 4.344 -15.943 -9.139 1.00 0.00 N ATOM 0 H LYS A 102 4.152 -10.056 -12.160 1.00 0.00 H new ATOM 0 HA LYS A 102 2.295 -12.359 -12.264 1.00 0.00 H new ATOM 0 HB2 LYS A 102 4.029 -11.161 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 102 2.512 -11.902 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 102 3.119 -14.023 -10.459 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.215 -13.373 -11.662 1.00 0.00 H new ATOM 0 HD2 LYS A 102 5.967 -13.068 -10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.879 -13.307 -8.706 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.654 -15.465 -10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.351 -15.287 -9.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.706 -16.882 -8.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.965 -15.471 -8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.587 -16.048 -9.845 1.00 0.00 H new ATOM 1496 N TRP A 103 0.204 -11.018 -11.584 1.00 0.00 N ATOM 1497 CA TRP A 103 -0.955 -10.179 -11.334 1.00 0.00 C ATOM 1498 C TRP A 103 -1.402 -10.538 -9.914 1.00 0.00 C ATOM 1499 O TRP A 103 -1.944 -11.604 -9.616 1.00 0.00 O ATOM 1500 CB TRP A 103 -2.070 -10.361 -12.406 1.00 0.00 C ATOM 1501 CG TRP A 103 -1.842 -9.624 -13.733 1.00 0.00 C ATOM 1502 CD1 TRP A 103 -1.595 -10.130 -14.979 1.00 0.00 C ATOM 1503 CD2 TRP A 103 -2.026 -8.203 -13.913 1.00 0.00 C ATOM 1504 NE1 TRP A 103 -1.644 -9.119 -15.921 1.00 0.00 N ATOM 1505 CE2 TRP A 103 -1.928 -7.935 -15.276 1.00 0.00 C ATOM 1506 CE3 TRP A 103 -2.289 -7.202 -13.023 1.00 0.00 C ATOM 1507 CZ2 TRP A 103 -2.117 -6.670 -15.762 1.00 0.00 C ATOM 1508 CZ3 TRP A 103 -2.499 -5.926 -13.512 1.00 0.00 C ATOM 1509 CH2 TRP A 103 -2.415 -5.664 -14.865 1.00 0.00 C ATOM 0 H TRP A 103 -0.013 -12.005 -11.721 1.00 0.00 H new ATOM 0 HA TRP A 103 -0.715 -9.118 -11.410 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -2.177 -11.425 -12.616 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -3.016 -10.023 -11.982 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -1.391 -11.168 -15.196 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -1.495 -9.231 -16.924 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -2.332 -7.402 -11.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.035 -6.464 -16.819 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -2.732 -5.124 -12.827 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.584 -4.660 -15.226 1.00 0.00 H new ATOM 1520 N TYR A 104 -1.107 -9.600 -8.997 1.00 0.00 N ATOM 1521 CA TYR A 104 -1.259 -9.765 -7.563 1.00 0.00 C ATOM 1522 C TYR A 104 -2.039 -8.665 -6.920 1.00 0.00 C ATOM 1523 O TYR A 104 -1.585 -7.527 -6.916 1.00 0.00 O ATOM 1524 CB TYR A 104 0.153 -9.672 -6.907 1.00 0.00 C ATOM 1525 CG TYR A 104 0.987 -10.915 -7.006 1.00 0.00 C ATOM 1526 CD1 TYR A 104 0.468 -12.189 -6.843 1.00 0.00 C ATOM 1527 CD2 TYR A 104 2.357 -10.765 -7.085 1.00 0.00 C ATOM 1528 CE1 TYR A 104 1.314 -13.271 -6.698 1.00 0.00 C ATOM 1529 CE2 TYR A 104 3.203 -11.847 -6.963 1.00 0.00 C ATOM 1530 CZ TYR A 104 2.681 -13.106 -6.725 1.00 0.00 C ATOM 1531 OH TYR A 104 3.501 -14.228 -6.456 1.00 0.00 O ATOM 0 H TYR A 104 -0.746 -8.681 -9.254 1.00 0.00 H new ATOM 0 HA TYR A 104 -1.770 -10.717 -7.420 1.00 0.00 H new ATOM 0 HB2 TYR A 104 0.698 -8.850 -7.371 1.00 0.00 H new ATOM 0 HB3 TYR A 104 0.031 -9.419 -5.854 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -0.602 -12.337 -6.829 1.00 0.00 H new ATOM 0 HD2 TYR A 104 2.774 -9.782 -7.245 1.00 0.00 H new ATOM 0 HE1 TYR A 104 0.898 -14.259 -6.562 1.00 0.00 H new ATOM 0 HE2 TYR A 104 4.271 -11.712 -7.053 1.00 0.00 H new ATOM 0 HH TYR A 104 4.443 -13.965 -6.511 1.00 0.00 H new ATOM 1541 N LYS A 105 -3.161 -8.979 -6.195 1.00 0.00 N ATOM 1542 CA LYS A 105 -3.866 -8.125 -5.257 1.00 0.00 C ATOM 1543 C LYS A 105 -2.984 -7.660 -4.124 1.00 0.00 C ATOM 1544 O LYS A 105 -1.982 -8.297 -3.808 1.00 0.00 O ATOM 1545 CB LYS A 105 -5.105 -8.863 -4.616 1.00 0.00 C ATOM 1546 CG LYS A 105 -5.250 -10.369 -4.923 1.00 0.00 C ATOM 1547 CD LYS A 105 -4.234 -11.259 -4.184 1.00 0.00 C ATOM 1548 CE LYS A 105 -4.327 -12.737 -4.584 1.00 0.00 C ATOM 1549 NZ LYS A 105 -3.303 -13.539 -3.875 1.00 0.00 N ATOM 0 H LYS A 105 -3.600 -9.896 -6.275 1.00 0.00 H new ATOM 0 HA LYS A 105 -4.193 -7.266 -5.843 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.052 -8.740 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -6.012 -8.359 -4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.258 -10.688 -4.657 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.139 -10.523 -5.996 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.226 -10.896 -4.387 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -4.394 -11.169 -3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -5.321 -13.120 -4.351 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -4.192 -12.836 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -3.384 -14.536 -4.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -2.356 -13.185 -4.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -3.450 -13.460 -2.848 1.00 0.00 H new ATOM 1563 N ARG A 106 -3.366 -6.518 -3.519 1.00 0.00 N ATOM 1564 CA ARG A 106 -2.654 -5.736 -2.505 1.00 0.00 C ATOM 1565 C ARG A 106 -1.747 -6.437 -1.492 1.00 0.00 C ATOM 1566 O ARG A 106 -0.545 -6.208 -1.408 1.00 0.00 O ATOM 1567 CB ARG A 106 -3.689 -4.864 -1.774 1.00 0.00 C ATOM 1568 CG ARG A 106 -3.216 -3.420 -1.562 1.00 0.00 C ATOM 1569 CD ARG A 106 -4.201 -2.557 -0.781 1.00 0.00 C ATOM 1570 NE ARG A 106 -5.611 -2.891 -1.188 1.00 0.00 N ATOM 1571 CZ ARG A 106 -6.469 -2.040 -1.824 1.00 0.00 C ATOM 1572 NH1 ARG A 106 -6.115 -0.757 -2.100 1.00 0.00 N ATOM 1573 NH2 ARG A 106 -7.708 -2.493 -2.176 1.00 0.00 N ATOM 0 H ARG A 106 -4.260 -6.087 -3.752 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.916 -5.182 -3.085 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -4.617 -4.856 -2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.914 -5.312 -0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.262 -3.434 -1.034 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -3.036 -2.960 -2.534 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -4.073 -2.722 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -4.000 -1.502 -0.967 1.00 0.00 H new ATOM 0 HE ARG A 106 -5.953 -3.827 -0.972 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -5.193 -0.413 -1.831 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.771 -0.138 -2.576 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -7.979 -3.453 -1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -8.362 -1.871 -2.652 1.00 0.00 H new ATOM 1587 N MET A 107 -2.338 -7.437 -0.803 1.00 0.00 N ATOM 1588 CA MET A 107 -1.777 -8.332 0.190 1.00 0.00 C ATOM 1589 C MET A 107 -0.653 -9.273 -0.310 1.00 0.00 C ATOM 1590 O MET A 107 0.080 -9.815 0.514 1.00 0.00 O ATOM 1591 CB MET A 107 -2.957 -9.009 0.960 1.00 0.00 C ATOM 1592 CG MET A 107 -3.934 -9.820 0.080 1.00 0.00 C ATOM 1593 SD MET A 107 -5.553 -10.015 0.898 1.00 0.00 S ATOM 1594 CE MET A 107 -6.452 -10.828 -0.452 1.00 0.00 C ATOM 0 H MET A 107 -3.324 -7.645 -0.957 1.00 0.00 H new ATOM 0 HA MET A 107 -1.200 -7.745 0.904 1.00 0.00 H new ATOM 0 HB2 MET A 107 -2.542 -9.671 1.720 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.520 -8.236 1.483 1.00 0.00 H new ATOM 0 HG2 MET A 107 -4.066 -9.318 -0.879 1.00 0.00 H new ATOM 0 HG3 MET A 107 -3.509 -10.802 -0.130 1.00 0.00 H new ATOM 0 HE1 MET A 107 -7.476 -11.030 -0.137 1.00 0.00 H new ATOM 0 HE2 MET A 107 -6.463 -10.177 -1.326 1.00 0.00 H new ATOM 0 HE3 MET A 107 -5.958 -11.766 -0.705 1.00 0.00 H new ATOM 1604 N ALA A 108 -0.433 -9.426 -1.667 1.00 0.00 N ATOM 1605 CA ALA A 108 0.681 -10.171 -2.271 1.00 0.00 C ATOM 1606 C ALA A 108 1.940 -9.388 -2.588 1.00 0.00 C ATOM 1607 O ALA A 108 3.017 -9.961 -2.746 1.00 0.00 O ATOM 1608 CB ALA A 108 0.245 -10.981 -3.539 1.00 0.00 C ATOM 0 H ALA A 108 -1.054 -9.016 -2.365 1.00 0.00 H new ATOM 0 HA ALA A 108 0.955 -10.846 -1.461 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.106 -11.512 -3.945 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -0.528 -11.699 -3.264 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -0.147 -10.296 -4.291 1.00 0.00 H new ATOM 1614 N VAL A 109 1.776 -8.077 -2.753 1.00 0.00 N ATOM 1615 CA VAL A 109 2.741 -7.018 -3.039 1.00 0.00 C ATOM 1616 C VAL A 109 2.736 -5.838 -2.105 1.00 0.00 C ATOM 1617 O VAL A 109 1.942 -4.909 -2.285 1.00 0.00 O ATOM 1618 CB VAL A 109 2.781 -6.574 -4.484 1.00 0.00 C ATOM 1619 CG1 VAL A 109 3.855 -7.482 -5.094 1.00 0.00 C ATOM 1620 CG2 VAL A 109 1.373 -6.665 -5.121 1.00 0.00 C ATOM 0 H VAL A 109 0.839 -7.682 -2.679 1.00 0.00 H new ATOM 0 HA VAL A 109 3.678 -7.537 -2.834 1.00 0.00 H new ATOM 0 HB VAL A 109 3.042 -5.528 -4.646 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.972 -7.247 -6.152 1.00 0.00 H new ATOM 0 HG12 VAL A 109 4.803 -7.321 -4.580 1.00 0.00 H new ATOM 0 HG13 VAL A 109 3.555 -8.524 -4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 109 1.422 -6.341 -6.161 1.00 0.00 H new ATOM 0 HG22 VAL A 109 1.020 -7.695 -5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 109 0.684 -6.022 -4.573 1.00 0.00 H new ATOM 1630 N ILE A 110 3.656 -5.832 -1.132 1.00 0.00 N ATOM 1631 CA ILE A 110 3.791 -4.828 -0.067 1.00 0.00 C ATOM 1632 C ILE A 110 5.055 -3.949 -0.158 1.00 0.00 C ATOM 1633 O ILE A 110 5.775 -3.997 -1.154 1.00 0.00 O ATOM 1634 CB ILE A 110 3.521 -5.406 1.312 1.00 0.00 C ATOM 1635 CG1 ILE A 110 4.576 -6.358 1.945 1.00 0.00 C ATOM 1636 CG2 ILE A 110 2.103 -6.029 1.362 1.00 0.00 C ATOM 1637 CD1 ILE A 110 4.761 -7.734 1.284 1.00 0.00 C ATOM 0 H ILE A 110 4.363 -6.564 -1.062 1.00 0.00 H new ATOM 0 HA ILE A 110 2.991 -4.110 -0.247 1.00 0.00 H new ATOM 0 HB ILE A 110 3.603 -4.532 1.958 1.00 0.00 H new ATOM 0 HG12 ILE A 110 5.539 -5.848 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 110 4.305 -6.517 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 110 1.921 -6.440 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.360 -5.261 1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 110 2.029 -6.825 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 110 5.524 -8.297 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 110 3.819 -8.281 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 110 5.072 -7.601 0.248 1.00 0.00 H new ATOM 1649 N LEU A 111 5.382 -3.110 0.881 1.00 0.00 N ATOM 1650 CA LEU A 111 6.546 -2.195 0.826 1.00 0.00 C ATOM 1651 C LEU A 111 7.299 -1.896 2.124 1.00 0.00 C ATOM 1652 O LEU A 111 6.744 -2.022 3.208 1.00 0.00 O ATOM 1653 CB LEU A 111 6.139 -0.844 0.192 1.00 0.00 C ATOM 1654 CG LEU A 111 5.293 0.088 1.074 1.00 0.00 C ATOM 1655 CD1 LEU A 111 4.940 1.332 0.294 1.00 0.00 C ATOM 1656 CD2 LEU A 111 4.021 -0.571 1.584 1.00 0.00 C ATOM 0 H LEU A 111 4.854 -3.059 1.752 1.00 0.00 H new ATOM 0 HA LEU A 111 7.251 -2.767 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 111 7.046 -0.313 -0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 111 5.584 -1.048 -0.724 1.00 0.00 H new ATOM 0 HG LEU A 111 5.895 0.338 1.948 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.340 1.994 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.854 1.845 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 111 4.371 1.056 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.467 0.137 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 111 3.405 -0.876 0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.279 -1.447 2.180 1.00 0.00 H new ATOM 1668 N SER A 112 8.591 -1.452 2.035 1.00 0.00 N ATOM 1669 CA SER A 112 9.477 -1.094 3.167 1.00 0.00 C ATOM 1670 C SER A 112 9.561 0.433 3.343 1.00 0.00 C ATOM 1671 O SER A 112 9.020 1.158 2.503 1.00 0.00 O ATOM 1672 CB SER A 112 10.884 -1.767 2.993 1.00 0.00 C ATOM 1673 OG SER A 112 11.746 -1.681 4.135 1.00 0.00 O ATOM 0 H SER A 112 9.052 -1.333 1.133 1.00 0.00 H new ATOM 0 HA SER A 112 9.049 -1.484 4.090 1.00 0.00 H new ATOM 0 HB2 SER A 112 10.738 -2.819 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.387 -1.307 2.143 1.00 0.00 H new ATOM 0 HG SER A 112 11.245 -1.922 4.942 1.00 0.00 H new ATOM 1679 N LEU A 113 10.247 1.045 4.397 1.00 0.00 N ATOM 1680 CA LEU A 113 10.305 2.530 4.507 1.00 0.00 C ATOM 1681 C LEU A 113 10.993 3.263 3.372 1.00 0.00 C ATOM 1682 O LEU A 113 10.572 4.363 3.086 1.00 0.00 O ATOM 1683 CB LEU A 113 10.646 3.407 5.782 1.00 0.00 C ATOM 1684 CG LEU A 113 10.543 2.953 7.254 1.00 0.00 C ATOM 1685 CD1 LEU A 113 9.232 2.287 7.650 1.00 0.00 C ATOM 1686 CD2 LEU A 113 11.758 2.133 7.692 1.00 0.00 C ATOM 0 H LEU A 113 10.737 0.541 5.136 1.00 0.00 H new ATOM 0 HA LEU A 113 9.218 2.460 4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 113 11.677 3.733 5.647 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.018 4.295 5.704 1.00 0.00 H new ATOM 0 HG LEU A 113 10.543 3.888 7.814 1.00 0.00 H new ATOM 0 HD11 LEU A 113 9.269 2.009 8.703 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.407 2.981 7.486 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.080 1.394 7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 113 11.640 1.836 8.734 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.840 1.243 7.068 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.661 2.735 7.586 1.00 0.00 H new ATOM 1698 N GLU A 114 12.025 2.751 2.658 1.00 0.00 N ATOM 1699 CA GLU A 114 12.609 3.534 1.545 1.00 0.00 C ATOM 1700 C GLU A 114 11.862 3.532 0.221 1.00 0.00 C ATOM 1701 O GLU A 114 12.088 4.386 -0.625 1.00 0.00 O ATOM 1702 CB GLU A 114 14.146 3.617 1.482 1.00 0.00 C ATOM 1703 CG GLU A 114 14.562 5.031 1.957 1.00 0.00 C ATOM 1704 CD GLU A 114 16.072 5.204 1.861 1.00 0.00 C ATOM 1705 OE1 GLU A 114 16.601 5.167 0.718 1.00 0.00 O ATOM 1706 OE2 GLU A 114 16.720 5.381 2.928 1.00 0.00 O ATOM 0 H GLU A 114 12.454 1.840 2.823 1.00 0.00 H new ATOM 0 HA GLU A 114 12.372 4.542 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 114 14.596 2.853 2.116 1.00 0.00 H new ATOM 0 HB3 GLU A 114 14.497 3.436 0.466 1.00 0.00 H new ATOM 0 HG2 GLU A 114 14.064 5.786 1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 114 14.237 5.185 2.986 1.00 0.00 H new ATOM 1713 N GLN A 115 10.844 2.639 0.101 1.00 0.00 N ATOM 1714 CA GLN A 115 9.809 2.678 -0.927 1.00 0.00 C ATOM 1715 C GLN A 115 8.690 3.626 -0.452 1.00 0.00 C ATOM 1716 O GLN A 115 8.148 4.439 -1.194 1.00 0.00 O ATOM 1717 CB GLN A 115 9.176 1.305 -1.290 1.00 0.00 C ATOM 1718 CG GLN A 115 10.050 0.055 -1.075 1.00 0.00 C ATOM 1719 CD GLN A 115 11.473 0.155 -1.614 1.00 0.00 C ATOM 1720 OE1 GLN A 115 11.670 0.429 -2.919 1.00 0.00 O flip ATOM 1721 NE2 GLN A 115 12.414 -0.065 -0.851 1.00 0.00 N flip ATOM 0 H GLN A 115 10.732 1.855 0.744 1.00 0.00 H new ATOM 0 HA GLN A 115 10.303 3.022 -1.836 1.00 0.00 H new ATOM 0 HB2 GLN A 115 8.265 1.186 -0.704 1.00 0.00 H new ATOM 0 HB3 GLN A 115 8.879 1.335 -2.338 1.00 0.00 H new ATOM 0 HG2 GLN A 115 10.098 -0.156 -0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 115 9.559 -0.797 -1.546 1.00 0.00 H new ATOM 0 HE21 GLN A 115 12.236 -0.270 0.132 1.00 0.00 H new ATOM 0 HE22 GLN A 115 13.371 -0.042 -1.202 1.00 0.00 H new ATOM 1730 N GLY A 116 8.339 3.544 0.856 1.00 0.00 N ATOM 1731 CA GLY A 116 7.351 4.347 1.560 1.00 0.00 C ATOM 1732 C GLY A 116 7.716 5.816 1.734 1.00 0.00 C ATOM 1733 O GLY A 116 6.965 6.704 1.362 1.00 0.00 O ATOM 0 H GLY A 116 8.779 2.863 1.475 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.405 4.285 1.022 1.00 0.00 H new ATOM 0 HA3 GLY A 116 7.186 3.911 2.545 1.00 0.00 H new ATOM 1737 N ASN A 117 8.931 6.143 2.241 1.00 0.00 N ATOM 1738 CA ASN A 117 9.417 7.516 2.429 1.00 0.00 C ATOM 1739 C ASN A 117 9.874 8.207 1.156 1.00 0.00 C ATOM 1740 O ASN A 117 9.892 9.434 1.087 1.00 0.00 O ATOM 1741 CB ASN A 117 10.493 7.755 3.517 1.00 0.00 C ATOM 1742 CG ASN A 117 10.249 6.983 4.811 1.00 0.00 C ATOM 1743 OD1 ASN A 117 11.206 6.407 5.327 1.00 0.00 O ATOM 1744 ND2 ASN A 117 9.018 6.980 5.384 1.00 0.00 N ATOM 0 H ASN A 117 9.608 5.438 2.534 1.00 0.00 H new ATOM 0 HA ASN A 117 8.495 7.968 2.795 1.00 0.00 H new ATOM 0 HB2 ASN A 117 11.468 7.475 3.117 1.00 0.00 H new ATOM 0 HB3 ASN A 117 10.535 8.820 3.744 1.00 0.00 H new ATOM 0 HD21 ASN A 117 8.867 6.491 6.266 1.00 0.00 H new ATOM 0 HD22 ASN A 117 8.244 7.467 4.932 1.00 0.00 H new ATOM 1751 N ARG A 118 10.191 7.445 0.062 1.00 0.00 N ATOM 1752 CA ARG A 118 10.554 8.021 -1.234 1.00 0.00 C ATOM 1753 C ARG A 118 9.352 8.727 -1.903 1.00 0.00 C ATOM 1754 O ARG A 118 9.496 9.705 -2.620 1.00 0.00 O ATOM 1755 CB ARG A 118 11.141 7.010 -2.247 1.00 0.00 C ATOM 1756 CG ARG A 118 10.150 5.969 -2.802 1.00 0.00 C ATOM 1757 CD ARG A 118 10.077 5.916 -4.333 1.00 0.00 C ATOM 1758 NE ARG A 118 11.402 5.450 -4.871 1.00 0.00 N ATOM 1759 CZ ARG A 118 11.669 5.350 -6.211 1.00 0.00 C ATOM 1760 NH1 ARG A 118 10.738 5.713 -7.140 1.00 0.00 N ATOM 1761 NH2 ARG A 118 12.885 4.881 -6.620 1.00 0.00 N ATOM 0 H ARG A 118 10.196 6.425 0.074 1.00 0.00 H new ATOM 0 HA ARG A 118 11.338 8.738 -0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 118 11.563 7.566 -3.084 1.00 0.00 H new ATOM 0 HB3 ARG A 118 11.965 6.481 -1.768 1.00 0.00 H new ATOM 0 HG2 ARG A 118 10.431 4.984 -2.430 1.00 0.00 H new ATOM 0 HG3 ARG A 118 9.156 6.187 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 118 9.283 5.239 -4.649 1.00 0.00 H new ATOM 0 HD3 ARG A 118 9.834 6.901 -4.733 1.00 0.00 H new ATOM 0 HE ARG A 118 12.135 5.197 -4.208 1.00 0.00 H new ATOM 0 HH11 ARG A 118 9.829 6.065 -6.840 1.00 0.00 H new ATOM 0 HH12 ARG A 118 10.951 5.633 -8.134 1.00 0.00 H new ATOM 0 HH21 ARG A 118 13.585 4.609 -5.930 1.00 0.00 H new ATOM 0 HH22 ARG A 118 13.093 4.803 -7.616 1.00 0.00 H new ATOM 1775 N LEU A 119 8.127 8.189 -1.595 1.00 0.00 N ATOM 1776 CA LEU A 119 6.778 8.596 -1.956 1.00 0.00 C ATOM 1777 C LEU A 119 6.221 9.566 -0.967 1.00 0.00 C ATOM 1778 O LEU A 119 5.466 10.449 -1.366 1.00 0.00 O ATOM 1779 CB LEU A 119 5.770 7.394 -1.987 1.00 0.00 C ATOM 1780 CG LEU A 119 4.408 7.732 -2.641 1.00 0.00 C ATOM 1781 CD1 LEU A 119 3.713 6.620 -3.433 1.00 0.00 C ATOM 1782 CD2 LEU A 119 3.372 7.985 -1.572 1.00 0.00 C ATOM 0 H LEU A 119 8.089 7.353 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 119 6.876 9.037 -2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 119 6.226 6.565 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 119 5.597 7.052 -0.967 1.00 0.00 H new ATOM 0 HG LEU A 119 4.685 8.559 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.771 6.994 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.356 6.301 -4.253 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.516 5.773 -2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 119 2.417 8.222 -2.040 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.262 7.094 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.689 8.822 -0.949 1.00 0.00 H new ATOM 1794 N ARG A 120 6.486 9.396 0.361 1.00 0.00 N ATOM 1795 CA ARG A 120 5.782 10.066 1.451 1.00 0.00 C ATOM 1796 C ARG A 120 5.469 11.556 1.416 1.00 0.00 C ATOM 1797 O ARG A 120 4.401 12.002 1.817 1.00 0.00 O ATOM 1798 CB ARG A 120 6.452 9.784 2.870 1.00 0.00 C ATOM 1799 CG ARG A 120 7.639 10.676 3.321 1.00 0.00 C ATOM 1800 CD ARG A 120 8.052 10.404 4.773 1.00 0.00 C ATOM 1801 NE ARG A 120 9.255 11.248 5.098 1.00 0.00 N ATOM 1802 CZ ARG A 120 9.979 11.106 6.251 1.00 0.00 C ATOM 1803 NH1 ARG A 120 9.643 10.163 7.179 1.00 0.00 N ATOM 1804 NH2 ARG A 120 11.049 11.924 6.477 1.00 0.00 N ATOM 0 H ARG A 120 7.219 8.768 0.692 1.00 0.00 H new ATOM 0 HA ARG A 120 4.816 9.591 1.284 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.671 9.864 3.627 1.00 0.00 H new ATOM 0 HB3 ARG A 120 6.795 8.749 2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 120 8.491 10.502 2.664 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.363 11.725 3.214 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.231 10.640 5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 120 8.284 9.348 4.909 1.00 0.00 H new ATOM 0 HE ARG A 120 9.545 11.960 4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 120 8.842 9.552 7.018 1.00 0.00 H new ATOM 0 HH12 ARG A 120 10.193 10.070 8.033 1.00 0.00 H new ATOM 0 HH21 ARG A 120 11.303 12.633 5.789 1.00 0.00 H new ATOM 0 HH22 ARG A 120 11.594 11.826 7.333 1.00 0.00 H new ATOM 1818 N GLU A 121 6.454 12.321 0.897 1.00 0.00 N ATOM 1819 CA GLU A 121 6.512 13.748 0.713 1.00 0.00 C ATOM 1820 C GLU A 121 5.980 14.188 -0.654 1.00 0.00 C ATOM 1821 O GLU A 121 5.693 15.366 -0.855 1.00 0.00 O ATOM 1822 CB GLU A 121 7.994 14.182 0.926 1.00 0.00 C ATOM 1823 CG GLU A 121 9.044 13.242 0.275 1.00 0.00 C ATOM 1824 CD GLU A 121 10.439 13.842 0.442 1.00 0.00 C ATOM 1825 OE1 GLU A 121 10.682 14.945 -0.117 1.00 0.00 O ATOM 1826 OE2 GLU A 121 11.283 13.202 1.127 1.00 0.00 O ATOM 0 H GLU A 121 7.314 11.883 0.567 1.00 0.00 H new ATOM 0 HA GLU A 121 5.862 14.239 1.438 1.00 0.00 H new ATOM 0 HB2 GLU A 121 8.126 15.186 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.192 14.239 1.996 1.00 0.00 H new ATOM 0 HG2 GLU A 121 9.003 12.257 0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 121 8.819 13.106 -0.783 1.00 0.00 H new ATOM 1833 N GLN A 122 5.834 13.236 -1.623 1.00 0.00 N ATOM 1834 CA GLN A 122 5.339 13.475 -2.971 1.00 0.00 C ATOM 1835 C GLN A 122 3.913 12.980 -3.186 1.00 0.00 C ATOM 1836 O GLN A 122 3.121 13.737 -3.748 1.00 0.00 O ATOM 1837 CB GLN A 122 6.313 13.041 -4.136 1.00 0.00 C ATOM 1838 CG GLN A 122 6.988 11.641 -4.077 1.00 0.00 C ATOM 1839 CD GLN A 122 7.952 11.413 -5.269 1.00 0.00 C ATOM 1840 OE1 GLN A 122 7.750 11.907 -6.382 1.00 0.00 O ATOM 1841 NE2 GLN A 122 9.033 10.620 -5.060 1.00 0.00 N ATOM 0 H GLN A 122 6.071 12.257 -1.460 1.00 0.00 H new ATOM 0 HA GLN A 122 5.308 14.562 -3.038 1.00 0.00 H new ATOM 0 HB2 GLN A 122 5.753 13.097 -5.070 1.00 0.00 H new ATOM 0 HB3 GLN A 122 7.107 13.786 -4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 122 7.538 11.543 -3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 122 6.220 10.867 -4.078 1.00 0.00 H new ATOM 0 HE21 GLN A 122 9.197 10.213 -4.139 1.00 0.00 H new ATOM 0 HE22 GLN A 122 9.682 10.430 -5.824 1.00 0.00 H new ATOM 1850 N TYR A 123 3.525 11.710 -2.818 1.00 0.00 N ATOM 1851 CA TYR A 123 2.185 11.251 -3.267 1.00 0.00 C ATOM 1852 C TYR A 123 1.223 10.667 -2.244 1.00 0.00 C ATOM 1853 O TYR A 123 0.183 10.179 -2.676 1.00 0.00 O ATOM 1854 CB TYR A 123 2.241 10.157 -4.406 1.00 0.00 C ATOM 1855 CG TYR A 123 3.235 10.425 -5.495 1.00 0.00 C ATOM 1856 CD1 TYR A 123 3.301 11.621 -6.184 1.00 0.00 C ATOM 1857 CD2 TYR A 123 4.139 9.437 -5.813 1.00 0.00 C ATOM 1858 CE1 TYR A 123 4.289 11.824 -7.130 1.00 0.00 C ATOM 1859 CE2 TYR A 123 5.122 9.631 -6.744 1.00 0.00 C ATOM 1860 CZ TYR A 123 5.182 10.820 -7.436 1.00 0.00 C ATOM 1861 OH TYR A 123 6.247 11.070 -8.323 1.00 0.00 O ATOM 0 H TYR A 123 4.071 11.050 -2.264 1.00 0.00 H new ATOM 0 HA TYR A 123 1.801 12.219 -3.588 1.00 0.00 H new ATOM 0 HB2 TYR A 123 2.473 9.194 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 123 1.251 10.069 -4.853 1.00 0.00 H new ATOM 0 HD1 TYR A 123 2.579 12.399 -5.983 1.00 0.00 H new ATOM 0 HD2 TYR A 123 4.070 8.482 -5.313 1.00 0.00 H new ATOM 0 HE1 TYR A 123 4.361 12.777 -7.633 1.00 0.00 H new ATOM 0 HE2 TYR A 123 5.848 8.855 -6.936 1.00 0.00 H new ATOM 0 HH TYR A 123 6.914 11.636 -7.882 1.00 0.00 H new ATOM 1871 N GLY A 124 1.487 10.550 -0.910 1.00 0.00 N ATOM 1872 CA GLY A 124 0.595 9.614 -0.250 1.00 0.00 C ATOM 1873 C GLY A 124 1.084 9.454 1.121 1.00 0.00 C ATOM 1874 O GLY A 124 0.455 9.959 2.039 1.00 0.00 O ATOM 0 H GLY A 124 2.202 11.022 -0.357 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -0.429 9.988 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 124 0.586 8.657 -0.771 1.00 0.00 H new ATOM 1878 N LEU A 125 2.245 8.759 1.282 1.00 0.00 N ATOM 1879 CA LEU A 125 2.928 8.272 2.488 1.00 0.00 C ATOM 1880 C LEU A 125 3.224 9.148 3.696 1.00 0.00 C ATOM 1881 O LEU A 125 3.903 8.727 4.631 1.00 0.00 O ATOM 1882 CB LEU A 125 4.082 7.274 2.189 1.00 0.00 C ATOM 1883 CG LEU A 125 3.833 5.819 2.569 1.00 0.00 C ATOM 1884 CD1 LEU A 125 3.095 5.584 3.918 1.00 0.00 C ATOM 1885 CD2 LEU A 125 3.246 5.211 1.311 1.00 0.00 C ATOM 0 H LEU A 125 2.783 8.501 0.455 1.00 0.00 H new ATOM 0 HA LEU A 125 2.047 7.777 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.303 7.316 1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 125 4.974 7.616 2.713 1.00 0.00 H new ATOM 0 HG LEU A 125 4.746 5.293 2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.973 4.514 4.084 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.679 6.014 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.115 6.060 3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.030 4.156 1.483 1.00 0.00 H new ATOM 0 HD22 LEU A 125 2.325 5.732 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.960 5.307 0.493 1.00 0.00 H new ATOM 1897 N GLY A 126 2.619 10.344 3.791 1.00 0.00 N ATOM 1898 CA GLY A 126 2.605 10.972 5.119 1.00 0.00 C ATOM 1899 C GLY A 126 1.964 12.320 5.281 1.00 0.00 C ATOM 1900 O GLY A 126 2.702 13.292 5.173 1.00 0.00 O ATOM 0 H GLY A 126 2.169 10.859 3.034 1.00 0.00 H new ATOM 0 HA2 GLY A 126 2.105 10.286 5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 126 3.639 11.057 5.453 1.00 0.00 H new ATOM 1904 N PRO A 127 0.664 12.552 5.604 1.00 0.00 N ATOM 1905 CA PRO A 127 0.136 13.905 5.846 1.00 0.00 C ATOM 1906 C PRO A 127 0.422 14.411 7.281 1.00 0.00 C ATOM 1907 O PRO A 127 0.123 15.563 7.585 1.00 0.00 O ATOM 1908 CB PRO A 127 -1.366 13.706 5.595 1.00 0.00 C ATOM 1909 CG PRO A 127 -1.648 12.317 6.176 1.00 0.00 C ATOM 1910 CD PRO A 127 -0.371 11.530 5.806 1.00 0.00 C ATOM 0 HA PRO A 127 0.594 14.666 5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -1.960 14.475 6.089 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -1.604 13.752 4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -1.804 12.353 7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -2.541 11.869 5.740 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -0.091 10.837 6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -0.521 10.937 4.904 1.00 0.00 H new